2026
|
Chakradhar, Sahoo; Chakraborty, Suman Kumar; Kousika, A.; Jones, Alfred J. H.; Sharma, Manas; Nielsen, Thomas S.; Jiang, Zhihao; Kolasseri, Ihsan A.; Das, Subhadip; Watson, Matthew D.; Cacho, Cephise; Watanabe, Kenji; Taniguchi, Takashi; Chen, Yong P.; Heinz, Tony F.; Govind Rajan, Ananth; Sahoo, Prasana K.; Ulstrup, Søren Direct Nanoscale Mapping of Band Alignment in Single-Layer Semiconducting Lateral Heterojunctions Journal Article In: Nano Letters, vol. 26, iss. 15, pp. 5178-5186, 2026. @article{nokey,
title = {Direct Nanoscale Mapping of Band Alignment in Single-Layer Semiconducting Lateral Heterojunctions},
author = {Chakradhar, Sahoo and Suman Kumar Chakraborty and A. Kousika and Alfred J. H. Jones and Manas Sharma and Thomas S. Nielsen and Zhihao Jiang and Ihsan A. Kolasseri and Subhadip Das and Matthew D. Watson and Cephise Cacho and Kenji Watanabe and Takashi Taniguchi and Yong P. Chen and Tony F. Heinz and Govind Rajan, Ananth and Prasana K. Sahoo and Søren Ulstrup},
url = {https://pubs.acs.org/doi/full/10.1021/acs.nanolett.6c00590},
doi = {https://doi.org/10.1021/acs.nanolett.6c00590},
year = {2026},
date = {2026-04-13},
urldate = {2026-04-13},
journal = {Nano Letters},
volume = {26},
issue = {15},
pages = {5178-5186},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Islam, Sk Safikul; Dhondi, Pradeep; Kumari, Anjali; Govind Rajan, Ananth; Bose, Suryasarathi Architecting stable lyotropic liquid crystal graphene oxide-IPN membranes for ultrasensitive ion sieving Journal Article In: Chemical Engineering Journal, vol. 536, no. 175866, 2026. @article{nokey,
title = {Architecting stable lyotropic liquid crystal graphene oxide-IPN membranes for ultrasensitive ion sieving},
author = {Sk Safikul Islam and Pradeep Dhondi and Anjali Kumari and Govind Rajan, Ananth and Suryasarathi Bose},
url = {https://www.sciencedirect.com/science/article/pii/S1385894726033267},
doi = {https://doi.org/10.1016/j.cej.2026.175866},
year = {2026},
date = {2026-04-03},
urldate = {2026-04-03},
journal = {Chemical Engineering Journal},
volume = {536},
number = {175866},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Kumar, Keerthana S; Gogoi, Abhijit; Nampoothiri, Madhavan DK; Acharya, Bhavesh Kumar; Verma, Manvi; Govind Rajan, Ananth; Singh, Akshay Oxygen as a dual function regulator in MoS2 CVD synthesis: enhancing precursor evaporation while modulating reaction kinetics Online 2026, visited: 30.03.2026. @online{nokey,
title = {Oxygen as a dual function regulator in MoS2 CVD synthesis: enhancing precursor evaporation while modulating reaction kinetics},
author = {Keerthana S Kumar and Abhijit Gogoi and Madhavan DK Nampoothiri and Bhavesh Kumar Acharya and Manvi Verma and Govind Rajan, Ananth and Akshay Singh},
url = {https://arxiv.org/abs/2603.28461},
doi = { https://doi.org/10.48550/arXiv.2603.28461},
year = {2026},
date = {2026-03-30},
urldate = {2026-03-30},
howpublished = {Available on arXiv},
keywords = {},
pubstate = {published},
tppubtype = {online}
}
|
Kumar, Vivek; Jangid, Abhishek; Sharma, Manas; Verma, Manvi; Pasyanthi, Jampala; Kumar, Keerthana S.; Sharma, Piyush; Chiglintsev, Emil O.; Panin, Mikhail I.; Punnathanam, Sudeep N.; Chernov, Alexander I.; Govind Rajan, Ananth; Singh, Akshay Tailored Vapor Deposition Unlocks Large-Grain, Wafer-Scale Epitaxial Growth of 2D Magnetic CrCl3 Journal Article In: Advanced Materials, no. e14405, 2026. @article{nokey,
title = {Tailored Vapor Deposition Unlocks Large-Grain, Wafer-Scale Epitaxial Growth of 2D Magnetic CrCl3},
author = {Vivek Kumar and Abhishek Jangid and Manas Sharma and Manvi Verma and Jampala Pasyanthi and Keerthana S. Kumar and Piyush Sharma and Emil O. Chiglintsev and Mikhail I. Panin and Sudeep N. Punnathanam and Alexander I. Chernov and Govind Rajan, Ananth and Akshay Singh},
url = {https://advanced.onlinelibrary.wiley.com/doi/full/10.1002/adma.202514405},
doi = {https://doi.org/10.1002/adma.202514405},
year = {2026},
date = {2026-03-29},
urldate = {2026-03-29},
journal = {Advanced Materials},
number = {e14405},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Motamarri, Phani Atomic-Scale Simulations: A Window into the Nanoscale Journal Article In: Journal of the Indian Institute of Science, 2026. @article{nokey,
title = {Atomic-Scale Simulations: A Window into the Nanoscale},
author = {Govind Rajan, Ananth and Phani Motamarri},
url = {https://link.springer.com/article/10.1007/s41745-026-00504-z},
doi = {https://doi.org/10.1007/s41745-026-00504-z},
year = {2026},
date = {2026-03-27},
urldate = {2026-03-27},
journal = {Journal of the Indian Institute of Science},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Pradeep, Dhondi; Govind Rajan, Ananth Aqueous chemistry of MoS2 nanopores: how functional groups influence water permeation and ion/boron rejection Journal Article In: Nanoscale, vol. 18, pp. 9190-9208, 2026. @article{nokey,
title = {Aqueous chemistry of MoS2 nanopores: how functional groups influence water permeation and ion/boron rejection},
author = {Pradeep, Dhondi and Govind Rajan, Ananth},
url = {https://pubs.rsc.org/en/content/articlehtml/2026/nr/d5nr05327g},
doi = {10.1039/D5NR05327G},
year = {2026},
date = {2026-03-10},
urldate = {2026-03-10},
journal = {Nanoscale},
volume = {18},
pages = {9190-9208},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Chaturvedi, Shivam; Pathak, Amar Deep; Sinha, Nishant; Govind Rajan, Ananth Transient Microkinetic Modeling of Electrochemical Reactions: Capturing Unsteady Dynamics of CO Reduction and Oxygen Evolution Journal Article In: Advanced Theory and Simulations, no. e00799, 2026. @article{nokey,
title = {Transient Microkinetic Modeling of Electrochemical Reactions: Capturing Unsteady Dynamics of CO Reduction and Oxygen Evolution},
author = {Shivam Chaturvedi and Amar Deep Pathak and Nishant Sinha and Govind Rajan, Ananth },
doi = {10.1002/adts.202500799},
year = {2026},
date = {2026-02-04},
urldate = {2026-02-04},
journal = {Advanced Theory and Simulations},
number = {e00799},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Marcato, Tommaso; Oh, Jiwoo; Lin, Zhan-Hong; Tian, Tian; Gogoi, Abhijit; Shivarudraiah, Sunil B.; Kumar, Sudhir; Govind Rajan, Ananth; Zeng, Shuangshuang; Shih, Chih-Jen Scalable nanopatterning of organic light-emitting diodes beyond the diffraction limit Journal Article In: Nature Photonics, vol. 20, pp. 31-39, 2026. @article{nokey,
title = {Scalable nanopatterning of organic light-emitting diodes beyond the diffraction limit},
author = {Tommaso Marcato and Jiwoo Oh and Zhan-Hong Lin and Tian Tian and Abhijit Gogoi and Sunil B. Shivarudraiah and Sudhir Kumar and Govind Rajan, Ananth and Shuangshuang Zeng and Chih-Jen Shih},
doi = {10.1038/s41566-025-01785-z},
year = {2026},
date = {2026-01-01},
urldate = {2026-01-01},
journal = {Nature Photonics},
volume = {20},
pages = {31-39},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2025
|
Sudhakar, Hari R.; Gupta, Ankur; Govind Rajan, Ananth Near-electrode anion dehydration and field-dependent dielectric response govern double-layer capacitance Journal Article In: Physical Review E, vol. 112, no. 055503, 2025. @article{nokey,
title = {Near-electrode anion dehydration and field-dependent dielectric response govern double-layer capacitance},
author = {Sudhakar, Hari R. and Gupta, Ankur and Govind Rajan, Ananth},
doi = {10.1103/l12q-f95m},
year = {2025},
date = {2025-10-30},
journal = {Physical Review E},
volume = {112},
number = {055503},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Bhowmik, Sayan; Govind Rajan, Ananth Size and Chemical Environment Control Nanopore Geometry in 2D MoS2 : From Irregular to Triangular Defects Journal Article In: Small, vol. 21, no. e2504611, 2025. @article{nokeyv,
title = {Size and Chemical Environment Control Nanopore Geometry in 2D MoS2 : From Irregular to Triangular Defects},
author = {Sayan Bhowmik and Govind Rajan, Ananth},
url = {https://onlinelibrary.wiley.com/doi/10.1002/smll.202504611},
year = {2025},
date = {2025-07-01},
urldate = {2025-07-01},
journal = {Small},
volume = {21},
number = {e2504611},
abstract = {Defects in 2D transition metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), can modulate their optoelectronic and membrane properties. Increased structural complexity and a quasi-2D nature complicate the study of extended defects in MoS2. To address this knowledge gap, coordination-dependent atomic fingerprints are advanced for undercoordinated atoms in TMDs, enabling the cataloging of nanopore isomers in MoS2. Combining the introduced fingerprints with extensive density functional theory calculations of etching energies, stochastic kinetic Monte Carlo simulations of defect formation, and chemical graph theory for distinguishing nanopore shapes, predicts the most probable nanopores in MoS2. A range of size-dependent topologies are revealed from elongated to perfectly triangular, where smaller defects are irregular, while larger ones are more symmetric, exhibiting qualitative agreement with experiments. Moving toward a sulfur-rich chemical environment slows down the growth of larger pores and makes them perfectly triangular, providing an experimental route to control nanopore synthesis. The size-dependent structural order in MoS2 nanopores elucidated here will enable precise control over the defect shape and size distribution in the material for various application areas, including seawater desalination, gas separations, DNA sequencing, and optoelectronic devices.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Defects in 2D transition metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), can modulate their optoelectronic and membrane properties. Increased structural complexity and a quasi-2D nature complicate the study of extended defects in MoS2. To address this knowledge gap, coordination-dependent atomic fingerprints are advanced for undercoordinated atoms in TMDs, enabling the cataloging of nanopore isomers in MoS2. Combining the introduced fingerprints with extensive density functional theory calculations of etching energies, stochastic kinetic Monte Carlo simulations of defect formation, and chemical graph theory for distinguishing nanopore shapes, predicts the most probable nanopores in MoS2. A range of size-dependent topologies are revealed from elongated to perfectly triangular, where smaller defects are irregular, while larger ones are more symmetric, exhibiting qualitative agreement with experiments. Moving toward a sulfur-rich chemical environment slows down the growth of larger pores and makes them perfectly triangular, providing an experimental route to control nanopore synthesis. The size-dependent structural order in MoS2 nanopores elucidated here will enable precise control over the defect shape and size distribution in the material for various application areas, including seawater desalination, gas separations, DNA sequencing, and optoelectronic devices. |
Gupta, Ria Sen; Islam, Sk Safikul; Pradeep, Dhondi; Jose, Theres; Govind Rajan, Ananth; Bose, Suryasarathi Sequential Interpenetrating Polymer Network Confines Shear-Aligned Graphene Oxide Liquid Crystals Enabling Precise Molecular Sieving Journal Article In: Small, vol. 21, iss. 26, no. e2503746, 2025. @article{nokey,
title = {Sequential Interpenetrating Polymer Network Confines Shear-Aligned Graphene Oxide Liquid Crystals Enabling Precise Molecular Sieving},
author = {Ria Sen Gupta and Sk Safikul Islam and Dhondi Pradeep and Theres Jose and Govind Rajan, Ananth and Suryasarathi Bose},
doi = {10.1002/smll.202503746},
year = {2025},
date = {2025-05-16},
urldate = {2025-05-16},
journal = {Small},
volume = {21},
number = {e2503746},
issue = {26},
abstract = {Graphene oxide (GO)-based membranes hold great promise for revolutionizing nanofiltration, thanks to their seamless water transport and efficient ion and molecular sieving capabilities. Yet, their practical application remains limited due to structural instability under high pressure and swelling of nanochannels caused by water intercalation. This work overcomes these issues by aligning GO-based liquid crystals via shear forces and stabilizing them with a sequential interpenetrating polymeric network (IPN) using electrostatic anchoring. The process preserves long-range order through nanoconfinement. Using dopamine and GO liquid crystals, a nematic phase is achieved at very low concentrations, unlike conventional approaches. Characterization via microscopy and spectroscopy confirms pore sizes of ∼7 nm due to nanomaterial inclusion. These highly ordered and structurally stable membranes demonstrate exceptional water flux (145 LMH) and >97% separation efficiency for monovalent/divalent salts, dyes, and antibiotics. Molecular dynamics (MD) simulations reveal reduced water flux upon confining rGO-I sheets in the IPN, scaling with rGO-I concentration, and show fewer ions within the membrane, supporting feed-side retention. These findings match experimental results. The membranes also display antifouling, chlorine resistance, antibacterial activity, and cytocompatibility. They remain stable over multiple uses and under harsh conditions, without swelling-demonstrating strong potential for large-scale, sustainable water treatment.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Graphene oxide (GO)-based membranes hold great promise for revolutionizing nanofiltration, thanks to their seamless water transport and efficient ion and molecular sieving capabilities. Yet, their practical application remains limited due to structural instability under high pressure and swelling of nanochannels caused by water intercalation. This work overcomes these issues by aligning GO-based liquid crystals via shear forces and stabilizing them with a sequential interpenetrating polymeric network (IPN) using electrostatic anchoring. The process preserves long-range order through nanoconfinement. Using dopamine and GO liquid crystals, a nematic phase is achieved at very low concentrations, unlike conventional approaches. Characterization via microscopy and spectroscopy confirms pore sizes of ∼7 nm due to nanomaterial inclusion. These highly ordered and structurally stable membranes demonstrate exceptional water flux (145 LMH) and >97% separation efficiency for monovalent/divalent salts, dyes, and antibiotics. Molecular dynamics (MD) simulations reveal reduced water flux upon confining rGO-I sheets in the IPN, scaling with rGO-I concentration, and show fewer ions within the membrane, supporting feed-side retention. These findings match experimental results. The membranes also display antifouling, chlorine resistance, antibacterial activity, and cytocompatibility. They remain stable over multiple uses and under harsh conditions, without swelling-demonstrating strong potential for large-scale, sustainable water treatment. |
Sinha, Abhinav; Verma, Manvi; Kumar K M, Nandeesh; Kumar, Keerthana S; Govind Rajan, Ananth; Singh, Akshay Critical Role of Precursor Flux in Modulating Nucleation Density in 2D Material Synthesis Revealed by Digital Twin Journal Article In: Nanoscale Advances, vol. 7, iss. 11, pp. 3568-3578, 2025. @article{nanoadv2025,
title = {Critical Role of Precursor Flux in Modulating Nucleation Density in 2D Material Synthesis Revealed by Digital Twin},
author = {Sinha, Abhinav and Verma, Manvi and Kumar K M, Nandeesh and Kumar, Keerthana S and Govind Rajan, Ananth and Singh, Akshay },
doi = {10.1039/D5NA00202H},
year = {2025},
date = {2025-04-27},
urldate = {2025-04-27},
journal = {Nanoscale Advances},
volume = {7},
issue = {11},
pages = {3568-3578},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Rajagopalan, R.; Chaturvedi, S.; Chowdhary, N.; Gogoi, A.; Choksi, T. S.; Govind Rajan, A. Advances in Electrochemical CO2 Reduction on Bulk and Two-Dimensional Electrocatalysts: From First Principles to Experimental Outcomes Journal Article In: Current Opinion in Electrochemistry, vol. 51, no. 101668, 2025. @article{nokey,
title = {Advances in Electrochemical CO_{2} Reduction on Bulk and Two-Dimensional Electrocatalysts: From First Principles to Experimental Outcomes},
author = {Rajagopalan, R. and Chaturvedi, S. and Chowdhary, N. and Gogoi, A. and Choksi, T. S. and Govind Rajan, A.},
doi = {10.1016/j.coelec.2025.101668},
year = {2025},
date = {2025-02-17},
urldate = {2025-02-17},
journal = {Current Opinion in Electrochemistry},
volume = {51},
number = {101668},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Verma, A. K.; Atif, S.; Padhy, A.; Choksi, T. S.; Barpanda, P.; Govind Rajan, A. Robust Oxygen Evolution on Ni-Doped MoO3: Overcoming Activity-Stability Tradeoff in Alkaline Water Splitting Journal Article In: Chem and Bio Engineering, vol. 2, iss. 4, pp. 241–252, 2025. @article{nokey,
title = {Robust Oxygen Evolution on Ni-Doped MoO_{3}: Overcoming Activity-Stability Tradeoff in Alkaline Water Splitting},
author = {Verma, A. K. and Atif, S. and Padhy, A. and Choksi, T. S. and Barpanda, P. and Govind Rajan, A.},
doi = {10.1021/cbe.4c00160},
year = {2025},
date = {2025-02-10},
urldate = {2025-02-10},
journal = {Chem and Bio Engineering},
volume = {2},
issue = {4},
pages = {241–252},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Ghorai, S.; Dhondi, P.; Govind Rajan, A. Molecular Dynamics Simulations of Functionalized hBN Nanopores in Water: Ab Initio Force Field and Implications for Water Desalination Journal Article In: Journal of Chemical Physics, vol. 162, iss. 4, no. 044705, 2025. @article{nokey,
title = {Molecular Dynamics Simulations of Functionalized hBN Nanopores in Water: Ab Initio Force Field and Implications for Water Desalination},
author = {Ghorai, S. and Dhondi, P. and Govind Rajan, A.},
doi = {10.1063/5.0242541},
year = {2025},
date = {2025-01-31},
journal = {Journal of Chemical Physics},
volume = {162},
number = {044705},
issue = {4},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Majumdar, J.; Mandal, S.; Govind Rajan, A.; Maiti, P. K. Similar Structure but Different Thermodynamic, Dielectric, and Frictional Properties of Confined Water in Twisted 2D Materials: MoS2 vs. Graphene Journal Article In: Nanoscale, vol. 17, iss. 4, pp. 2354–2364, 2025. @article{nokey,
title = {Similar Structure but Different Thermodynamic, Dielectric, and Frictional Properties of Confined Water in Twisted 2D Materials: MoS2 vs. Graphene},
author = {Majumdar, J. and Mandal, S. and Govind Rajan, A. and Maiti, P. K. },
doi = {10.1039/D4NR03821E},
year = {2025},
date = {2025-01-02},
journal = {Nanoscale},
volume = {17},
issue = {4},
pages = {2354–2364},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Sharma, Bharat Bhushan; Kedara, Anjana; Muralidharan, Girish; Govind Rajan, Ananth Understanding the Effects of Surface and Edge Functionalization on the Mechanical Properties of Graphene and Graphene Oxide Journal Article In: ChemPhysChem, vol. 26, iss. 5, no. e202400919, 2025. @article{nokey,
title = {Understanding the Effects of Surface and Edge Functionalization on the Mechanical Properties of Graphene and Graphene Oxide},
author = {Sharma, Bharat Bhushan and Kedara, Anjana and Muralidharan, Girish and Govind Rajan, Ananth},
doi = {10.1002/cphc.202400919},
year = {2025},
date = {2025-01-01},
urldate = {2024-11-25},
journal = {ChemPhysChem},
volume = {26},
number = {e202400919},
issue = {5},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2024
|
Sharma, Piyush; Thomas, Sneha; Nair, Mahika; Govind Rajan, Ananth Machine Learnable Language for the Chemical Space of Nanopores Enables Structure-Property Relationships in Nanoporous 2D Materials Journal Article In: Journal of the American Chemical Society, vol. 146, iss. 44, pp. 30126–30138, 2024. @article{nokey,
title = {Machine Learnable Language for the Chemical Space of Nanopores Enables Structure-Property Relationships in Nanoporous 2D Materials},
author = {Sharma, Piyush and Thomas, Sneha and Nair, Mahika and Govind Rajan, Ananth},
doi = {10.1021/jacs.4c08282},
year = {2024},
date = {2024-10-20},
urldate = {2024-10-20},
journal = {Journal of the American Chemical Society},
volume = {146},
issue = {44},
pages = {30126–30138},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth Resolving the Debate between Boltzmann and Gibbs Entropy: Relative Energy Window Eliminates Thermodynamic Inconsistencies and Allows Negative Absolute Temperatures Journal Article In: The Journal of Physical Chemistry Letters, vol. 15, iss. 36, pp. 9263–9271, 2024. @article{nokey,
title = {Resolving the Debate between Boltzmann and Gibbs Entropy: Relative Energy Window Eliminates Thermodynamic Inconsistencies and Allows Negative Absolute Temperatures},
author = {Govind Rajan, Ananth},
doi = {10.1021/acs.jpclett.4c02400},
year = {2024},
date = {2024-09-05},
urldate = {2024-09-05},
journal = {The Journal of Physical Chemistry Letters},
volume = {15},
issue = {36},
pages = {9263–9271},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Paliwal, Shubhani; Li, Wei; Liu, Pingwei; Govind Rajan, Ananth Generalized Model of Inhibitor-Modulated 2D Polymer Growth to Understand the Controlled Synthesis of Covalent Organic Frameworks Journal Article In: JACS Au, vol. 4, iss. 8, pp. 2862–2873, 2024. @article{nokey,
title = {Generalized Model of Inhibitor-Modulated 2D Polymer Growth to Understand the Controlled Synthesis of Covalent Organic Frameworks},
author = {Paliwal, Shubhani and Li, Wei and Liu, Pingwei and Govind Rajan, Ananth},
doi = {10.1021/jacsau.4c00077},
year = {2024},
date = {2024-05-08},
urldate = {2024-05-08},
journal = {JACS Au},
volume = {4},
issue = {8},
pages = {2862–2873},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth Pedagogical Approach to Microcanonical Statistical Mechanics via Consistency with the Combined First and Second Law of Thermodynamics for a Nonideal Fluid Journal Article In: Journal of Chemical Education, vol. 101, iss. 6, pp. 2448–2457, 2024. @article{nokey,
title = {Pedagogical Approach to Microcanonical Statistical Mechanics via Consistency with the Combined First and Second Law of Thermodynamics for a Nonideal Fluid},
author = {Govind Rajan, Ananth},
doi = {10.1021/acs.jchemed.4c00109},
year = {2024},
date = {2024-04-30},
urldate = {2024-04-30},
journal = {Journal of Chemical Education},
volume = {101},
issue = {6},
pages = {2448–2457},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Arturo, Steven G.; Broadbelt, Linda J.; Dauenhauer, Paul. J; Govind Rajan, Ananth Materials Design: The Next Paradigm in Chemistry and Engineering Journal Article In: ACS Engineering Au, vol. 4, iss. 3, pp. 293–294, 2024. @article{nokey,
title = {Materials Design: The Next Paradigm in Chemistry and Engineering},
author = {Arturo, Steven G. and Broadbelt, Linda J. and Dauenhauer, Paul. J and Govind Rajan, Ananth},
doi = {10.1021/acsengineeringau.4c00014},
year = {2024},
date = {2024-04-23},
urldate = {2024-04-23},
journal = {ACS Engineering Au},
volume = {4},
issue = {3},
pages = {293–294},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Martirez, John Mark P.; Carter, Emily A. Strongly Facet-Dependent Activity of Iron-Doped β-Nickel Oxyhydroxide for the Oxygen Evolution Reaction Journal Article In: Physical Chemistry Chemical Physics, vol. 26, pp. 14721-14733 , 2024. @article{nokey,
title = { Strongly Facet-Dependent Activity of Iron-Doped β-Nickel Oxyhydroxide for the Oxygen Evolution Reaction },
author = {Govind Rajan, Ananth and Martirez, John Mark P. and Carter, Emily A.},
doi = {10.1039/D4CP00315B},
year = {2024},
date = {2024-04-12},
urldate = {2024-04-12},
journal = {Physical Chemistry Chemical Physics},
volume = {26},
pages = {14721-14733 },
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Kumar, Shiv; Govind Rajan, Ananth Predicting Quantum-Mechanical Partial Charges in Arbitrarily Long Boron Nitride Nanotubes to Accurately Simulate Nanoscale Water Transport Journal Article In: Journal of Chemical Theory and Computation, vol. 20, iss. 8, pp. 3298–3307, 2024. @article{nokey,
title = {Predicting Quantum-Mechanical Partial Charges in Arbitrarily Long Boron Nitride Nanotubes to Accurately Simulate Nanoscale Water Transport},
author = {Kumar, Shiv and Govind Rajan, Ananth},
doi = {10.1021/acs.jctc.4c00080},
year = {2024},
date = {2024-03-19},
urldate = {2024-03-19},
journal = {Journal of Chemical Theory and Computation},
volume = {20},
issue = {8},
pages = {3298–3307},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Ghorai, Sagar; Govind Rajan, Ananth From Molecular Precursors to MoS2 Monolayers: Nanoscale Mechanism of Organometallic Chemical Vapor Deposition Journal Article In: Chemistry of Materials, vol. 36, iss. 6, pp. 2698–2710, 2024. @article{nokey,
title = {From Molecular Precursors to MoS_{2} Monolayers: Nanoscale Mechanism of Organometallic Chemical Vapor Deposition},
author = {Ghorai, Sagar and Govind Rajan, Ananth},
doi = {10.1021/acs.chemmater.3c02675},
year = {2024},
date = {2024-03-07},
urldate = {2024-03-07},
journal = {Chemistry of Materials},
volume = {36},
issue = {6},
pages = {2698–2710},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2023
|
Lal, Dhruv; Konnur, Tanmay; Verma, Anand Mohan; Shaneeth, M.; Govind Rajan, Ananth Unraveling Low Overpotential Pathways for Electrochemical CO2 Reduction to CH4 on Pure and Doped MoS2 Edges Journal Article In: Industrial and Engineering Chemistry Research, vol. 62, iss. 49, pp. 21191–21207, 2023. @article{nokey,
title = {Unraveling Low Overpotential Pathways for Electrochemical CO_{2} Reduction to CH_{4} on Pure and Doped MoS_{2} Edges},
author = {Lal, Dhruv and Konnur, Tanmay and Verma, Anand Mohan and Shaneeth, M. and Govind Rajan, Ananth },
doi = {10.1021/acs.iecr.3c02171},
year = {2023},
date = {2023-12-01},
urldate = {2023-12-01},
journal = {Industrial and Engineering Chemistry Research},
volume = {62},
issue = {49},
pages = { 21191–21207},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Seal, Aniruddha; Tiwari, Utkarsh; Gupta, Ankur; Govind Rajan, Ananth Incorporating Ion-Specific van der Waals and Soft Repulsive Interactions in the Poisson-Boltzmann Theory of Electrical Double Layers Journal Article In: Physical Chemistry Chemical Physics, vol. 25, pp. 21708-21722 , 2023. @article{seal2023,
title = { Incorporating Ion-Specific van der Waals and Soft Repulsive Interactions in the Poisson-Boltzmann Theory of Electrical Double Layers },
author = {Seal, Aniruddha and Tiwari, Utkarsh and Gupta, Ankur and Govind Rajan, Ananth},
url = {https://doi.org/10.1039/D3CP00745F},
doi = {10.1039/D3CP00745F},
year = {2023},
date = {2023-07-06},
urldate = {2023-07-06},
journal = {Physical Chemistry Chemical Physics},
volume = {25},
pages = {21708-21722 },
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
John, Anwin; Verma, Anand Mohan; Shaneeth, M; Govind Rajan, Ananth Discovering a Single-Atom Catalyst for CO2 Electroreduction to C1 Hydrocarbons: Thermodynamics and Kinetics on Aluminum-Doped Copper Journal Article In: ChemCatChem, vol. 15, iss. 14, no. e202300188, 2023. @article{nokey,
title = {Discovering a Single-Atom Catalyst for CO_{2} Electroreduction to C_{1} Hydrocarbons: Thermodynamics and Kinetics on Aluminum-Doped Copper},
author = {John, Anwin and Verma, Anand Mohan and Shaneeth, M and Govind Rajan, Ananth},
url = {https://doi.org/10.1002/cctc.202300188},
doi = {10.1002/cctc.202300188},
year = {2023},
date = {2023-05-24},
urldate = {2023-05-24},
journal = {ChemCatChem},
volume = {15},
number = {e202300188},
issue = {14},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Warner, Jamie H.; Bhowmik, Sayan; Govind Rajan, Ananth Role of Chemical Etching in the Nucleation of Nanopores in 2D MoS2: Insights from First-Principles Calculations Journal Article In: The Journal of Physical Chemistry C, vol. 127, iss. 14, pp. 6873–6883, 2023. @article{bhowmik2023,
title = {Role of Chemical Etching in the Nucleation of Nanopores in 2D MoS_{2}: Insights from First-Principles Calculations},
author = {Warner, Jamie H. and Bhowmik, Sayan and Govind Rajan, Ananth},
url = {https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.2c08622},
doi = {10.1021/acs.jpcc.2c08622},
year = {2023},
date = {2023-04-10},
urldate = {2023-04-10},
journal = {The Journal of Physical Chemistry C},
volume = {127},
issue = {14},
pages = {6873–6883},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Thomas, Sneha; Silmore, Kevin S.; Sharma, Piyush; Govind Rajan, Ananth Enumerating Stable Nanopores in Graphene and their Geometrical Properties Using the Combinatorics of Hexagonal Lattices Journal Article In: Journal of Chemical Information and Modeling, vol. 63, iss. 3, pp. 870–881, 2023. @article{thomas2023,
title = {Enumerating Stable Nanopores in Graphene and their Geometrical Properties Using the Combinatorics of Hexagonal Lattices},
author = {Thomas, Sneha and Silmore, Kevin S. and Sharma, Piyush and Govind Rajan, Ananth},
url = {https://pubs.acs.org/doi/10.1021/acs.jcim.2c01306},
doi = {10.1021/acs.jcim.2c01306},
year = {2023},
date = {2023-01-31},
urldate = {2023-01-31},
journal = {Journal of Chemical Information and Modeling},
volume = {63},
issue = {3},
pages = {870–881},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Kozawa, D.; Li, S. X.; Ichihara, T.; Govind Rajan, A.; Gong, X.; He, G.; Koman, V. B.; Zeng, Y.; Kuehne, M.; Silmore, K. S.; Parviz, D.; Liu, P.; Liu, A. T.; Faucher, S.; Yuan, Z.; Warner, J.; Blankschtein, D.; Strano, M. S. Discretized hexagonal boron nitride quantum emitters and their chemical interconversion Journal Article In: Nanotechnology, vol. 34, iss. 11, pp. 115702, 2023. @article{nokey,
title = {Discretized hexagonal boron nitride quantum emitters and their chemical interconversion},
author = {Kozawa, D. and Li, S. X. and Ichihara, T. and Govind Rajan, A. and Gong, X. and He, G. and Koman, V. B. and Zeng, Y. and Kuehne, M. and Silmore, K. S. and Parviz, D. and Liu, P. and Liu, A. T. and Faucher, S. and Yuan, Z. and Warner, J. and Blankschtein, D. and Strano, M. S. },
url = {https://iopscience.iop.org/article/10.1088/1361-6528/aca984/meta},
doi = {10.1088/1361-6528/aca984},
year = {2023},
date = {2023-01-13},
urldate = {2023-01-13},
journal = {Nanotechnology},
volume = {34},
issue = {11},
pages = {115702},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2022
|
Verma, Ankit Kumar; Verma, Anand Mohan; Govind Rajan, Ananth Theoretical understanding of electrochemical phenomena in 2D electrode materials Journal Article In: Current Opinion in Electrochemistry, vol. 36, pp. 101116, 2022. @article{Ankit2022theoretical,
title = {Theoretical understanding of electrochemical phenomena in 2D electrode materials},
author = {Verma, Ankit Kumar and Verma, Anand Mohan and Govind Rajan, Ananth},
doi = {10.1016/j.coelec.2022.101116},
year = {2022},
date = {2022-08-08},
urldate = {2022-08-08},
journal = {Current Opinion in Electrochemistry},
volume = {36},
pages = {101116},
abstract = {Two-dimensional (2D) electrode materials present opportunities to enhance the efficiencies of electrochemical processes involved in electrocatalytic reactors, batteries, and supercapacitors. In this review, we discuss the theoretical basis of classical and quantum confinement effects, including how they modulate the performance of 2D electrode materials, in the light of recent experimental advances in the area. In particular, we discuss ion transport in the interstitial channels of 2D layers with and without spacers, the mechanisms and the underlying theories of mass and electron transport, and the effect of step edges, defects, and dopants on the mechanism and kinetics of electron transport in 2D electrode materials. We identify several opportunities for future work involving first-principles calculations, molecular dynamics simulations, as well as the development of analytical theories. Overall, this article not only provides a brief theoretical overview of electrochemical phenomena in 2D electrode materials, but also details several knowledge gaps in the field.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Two-dimensional (2D) electrode materials present opportunities to enhance the efficiencies of electrochemical processes involved in electrocatalytic reactors, batteries, and supercapacitors. In this review, we discuss the theoretical basis of classical and quantum confinement effects, including how they modulate the performance of 2D electrode materials, in the light of recent experimental advances in the area. In particular, we discuss ion transport in the interstitial channels of 2D layers with and without spacers, the mechanisms and the underlying theories of mass and electron transport, and the effect of step edges, defects, and dopants on the mechanism and kinetics of electron transport in 2D electrode materials. We identify several opportunities for future work involving first-principles calculations, molecular dynamics simulations, as well as the development of analytical theories. Overall, this article not only provides a brief theoretical overview of electrochemical phenomena in 2D electrode materials, but also details several knowledge gaps in the field. |
Verma, Ashutosh Kumar; Govind Rajan, Ananth Surface Roughness Explains the Observed Water Contact Angle and Slip Length on 2D Hexagonal Boron Nitride Journal Article In: Langmuir, vol. 38, no. 30, pp. 9210–9220, 2022. @article{nokey,
title = {Surface Roughness Explains the Observed Water Contact Angle and Slip Length on 2D Hexagonal Boron Nitride},
author = {Verma, Ashutosh Kumar and Govind Rajan, Ananth},
url = {https://doi.org/10.1021/acs.langmuir.2c00972},
doi = {10.1021/acs.langmuir.2c00972},
year = {2022},
date = {2022-07-22},
urldate = {2022-07-22},
journal = {Langmuir},
volume = {38},
number = {30},
pages = {9210–9220},
abstract = {Hexagonal boron nitride (hBN) is a two-dimensional (2D) material that is currently being explored in a number of applications, such as atomically thin coatings, water desalination, and biological sensors. In many of these applications, the hBN surface comes into intimate contact with water. In this work, we investigate the wetting and frictional behavior of realistic 2D hBN surfaces with atomic-scale defects and roughness. We combine density functional theory calculations of the charge distribution inside hBN with free energy calculations using molecular dynamics simulations of the hBN–water interface. We find that the presence of surface roughness, but not that of vacancy defects, leads to remarkable agreement with the experimentally observed water contact angle of 66° on freshly synthesized, uncontaminated hBN. Not only that, the inclusion of surface roughness predicts with exceptional accuracy the experimental water slip length of ∼1 nm on hBN. Our results underscore the importance of considering realistic models of 2D materials with surface roughness while modeling nanomaterial–water interfaces in molecular simulations.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hexagonal boron nitride (hBN) is a two-dimensional (2D) material that is currently being explored in a number of applications, such as atomically thin coatings, water desalination, and biological sensors. In many of these applications, the hBN surface comes into intimate contact with water. In this work, we investigate the wetting and frictional behavior of realistic 2D hBN surfaces with atomic-scale defects and roughness. We combine density functional theory calculations of the charge distribution inside hBN with free energy calculations using molecular dynamics simulations of the hBN–water interface. We find that the presence of surface roughness, but not that of vacancy defects, leads to remarkable agreement with the experimentally observed water contact angle of 66° on freshly synthesized, uncontaminated hBN. Not only that, the inclusion of surface roughness predicts with exceptional accuracy the experimental water slip length of ∼1 nm on hBN. Our results underscore the importance of considering realistic models of 2D materials with surface roughness while modeling nanomaterial–water interfaces in molecular simulations. |
Sheshanarayana, Rahul; Govind Rajan, Ananth Tailoring Nanoporous Graphene via Machine Learning: Predicting Probabilities and Formation Times of Arbitrary Nanopore Shapes Journal Article In: The Journal of Chemical Physics, vol. 156, pp. 204703, 2022. @article{nokey,
title = {Tailoring Nanoporous Graphene via Machine Learning: Predicting Probabilities and Formation Times of Arbitrary Nanopore Shapes },
author = {Sheshanarayana, Rahul and Govind Rajan, Ananth},
url = {https://doi.org/10.1063/5.0089469},
doi = {10.1063/5.0089469},
year = {2022},
date = {2022-04-26},
urldate = {2022-04-26},
journal = {The Journal of Chemical Physics},
volume = {156},
pages = {204703},
abstract = {Nanopores in graphene, a 2D material, are currently being explored for various applications, such as gas separation, water desalination,
and DNA sequencing. The shapes and sizes of nanopores play a major role in determining the performance of devices made out of graphene.
However, given an arbitrary nanopore shape, anticipating its creation probability and formation time is a challenging inverse problem, solving
which could help develop theoretical models for nanoporous graphene and guide experiments in tailoring pore sizes/shapes. In this work, we
develop a machine learning framework to predict these target variables, i.e., formation probabilities and times, based on data generated using
kinetic Monte Carlo simulations and chemical graph theory. Thereby, we enable the rapid quantification of the ease of formation of a given
nanopore shape in graphene via silicon-catalyzed electron-beam etching and provide an experimental handle to realize it, in practice. We use
structural features such as the number of carbon atoms removed, the number of edge atoms, the diameter of the nanopore, and its shape factor,
which can be readily extracted from the nanopore shape. We show that the trained models can accurately predict nanopore probabilities and
formation times with R2 values on the test set of 0.97 and 0.95, respectively. Not only that, we obtain physical insight into the working of
the model and discuss the role played by the various structural features in modulating nanopore formation. Overall, our work provides a
solid foundation for experimental studies to manipulate nanopore sizes/shapes and for theoretical studies to consider realistic structures of
nanopores in graphene.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Nanopores in graphene, a 2D material, are currently being explored for various applications, such as gas separation, water desalination,
and DNA sequencing. The shapes and sizes of nanopores play a major role in determining the performance of devices made out of graphene.
However, given an arbitrary nanopore shape, anticipating its creation probability and formation time is a challenging inverse problem, solving
which could help develop theoretical models for nanoporous graphene and guide experiments in tailoring pore sizes/shapes. In this work, we
develop a machine learning framework to predict these target variables, i.e., formation probabilities and times, based on data generated using
kinetic Monte Carlo simulations and chemical graph theory. Thereby, we enable the rapid quantification of the ease of formation of a given
nanopore shape in graphene via silicon-catalyzed electron-beam etching and provide an experimental handle to realize it, in practice. We use
structural features such as the number of carbon atoms removed, the number of edge atoms, the diameter of the nanopore, and its shape factor,
which can be readily extracted from the nanopore shape. We show that the trained models can accurately predict nanopore probabilities and
formation times with R2 values on the test set of 0.97 and 0.95, respectively. Not only that, we obtain physical insight into the working of
the model and discuss the role played by the various structural features in modulating nanopore formation. Overall, our work provides a
solid foundation for experimental studies to manipulate nanopore sizes/shapes and for theoretical studies to consider realistic structures of
nanopores in graphene. |
Bhowmik, Sayan; Govind Rajan, Ananth Chemical Vapor Deposition of 2D Materials: A Review of Modeling, Simulation, and Machine Learning Studies Journal Article In: iScience, vol. 25, no. 3, pp. 103832, 2022. @article{nokey,
title = {Chemical Vapor Deposition of 2D Materials: A Review of Modeling, Simulation, and Machine Learning Studies},
author = {Bhowmik, Sayan and Govind Rajan, Ananth},
url = {https://doi.org/10.1016/j.isci.2022.103832},
doi = {10.1016/j.isci.2022.103832},
year = {2022},
date = {2022-02-04},
urldate = {2022-02-04},
journal = {iScience},
volume = {25},
number = {3},
pages = {103832},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Sharma, Bharat Bhushan; Govind Rajan, Ananth How Grain Boundaries and Interfacial Electrostatic Interactions Modulate Water Desalination Via Nanoporous Hexagonal Boron Nitride Journal Article In: The Journal of Physical Chemistry B, vol. 126, no. 6, pp. 1284-1300, 2022. @article{nokey,
title = {How Grain Boundaries and Interfacial Electrostatic Interactions Modulate Water Desalination Via Nanoporous Hexagonal Boron Nitride},
author = {Sharma, Bharat Bhushan and Govind Rajan, Ananth },
url = {https://doi.org/10.1021/acs.jpcb.1c09287},
doi = {10.1021/acs.jpcb.1c09287},
year = {2022},
date = {2022-02-03},
urldate = {2022-02-03},
journal = {The Journal of Physical Chemistry B},
volume = {126},
number = {6},
pages = {1284-1300},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2021
|
Seal, Aniruddha; Govind Rajan, Ananth Modulating Water Slip Using Atomic-Scale Defects: Friction on Realistic Hexagonal Boron Nitride Surfaces Journal Article In: Nano Letters, vol. 21, no. 19, pp. 8008-8016, 2021. @article{seal2021,
title = {Modulating Water Slip Using Atomic-Scale Defects: Friction on Realistic Hexagonal Boron Nitride Surfaces},
author = {Aniruddha Seal and Govind Rajan, Ananth},
doi = {10.1021/acs.nanolett.1c02208},
year = {2021},
date = {2021-10-04},
urldate = {2021-10-04},
journal = {Nano Letters},
volume = {21},
number = {19},
pages = {8008-8016},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Martirez, John Mark P.; Carter, Emily A. Coupled Effects of Temperature, Pressure, and pH on Water Oxidation Thermodynamics and Kinetics Journal Article In: ACS Catalysis, vol. 11, no. 18, pp. 11305–11319, 2021. @article{govindrajan2021,
title = {Coupled Effects of Temperature, Pressure, and pH on Water Oxidation Thermodynamics and Kinetics},
author = {Govind Rajan, Ananth and Martirez, John Mark P. and Carter, Emily A. },
doi = {10.1021/acscatal.1c02428},
year = {2021},
date = {2021-08-07},
urldate = {2021-08-07},
journal = {ACS Catalysis},
volume = {11},
number = {18},
pages = {11305–11319},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Yuan, Zhe; Govind Rajan, Ananth; He, Guangwei; Misra, Rahul Prasanna; Strano, Michael S.; Blankschtein, Daniel Predicting Gas Separation through Graphene Nanopore Ensembles with Realistic Pore Size Distributions Journal Article In: ACS Nano, vol. 15, no. 1, pp. 1727-1740, 2021. @article{Yuan2021,
title = {Predicting Gas Separation through Graphene Nanopore Ensembles with Realistic Pore Size Distributions},
author = {Zhe Yuan and Govind Rajan, Ananth and Guangwei He and Rahul Prasanna Misra and Michael S. Strano and Daniel Blankschtein},
url = {https://doi.org/10.1021/acsnano.0c09420},
doi = {10.1021/acsnano.0c09420},
year = {2021},
date = {2021-01-10},
urldate = {2021-01-10},
journal = {ACS Nano},
volume = {15},
number = {1},
pages = {1727-1740},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2020
|
Gupta, Ankur; Govind Rajan, Ananth; Carter, Emily A.; Stone, Howard A. Thermodynamics of Electrical Double Layers with Electrostatic Correlations Journal Article In: The Journal of Physical Chemistry C, vol. 124, no. 49, pp. 26830-26842, 2020. @article{Gupta2020bb,
title = {Thermodynamics of Electrical Double Layers with Electrostatic Correlations},
author = {Ankur Gupta and Govind Rajan, Ananth and Emily A. Carter and Howard A. Stone},
url = {https://doi.org/10.1021/acs.jpcc.0c08554},
doi = {10.1021/acs.jpcc.0c08554},
year = {2020},
date = {2020-12-01},
urldate = {2020-12-01},
journal = {The Journal of Physical Chemistry C},
volume = {124},
number = {49},
pages = {26830-26842},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Carter, Emily A. Microkinetic Model for pH- and Potential-Dependent Oxygen Evolution During Water Splitting on Fe-Doped β-NiOOH Journal Article In: Energy and Environmental Science, vol. 13, pp. 4962-4976, 2020. @article{govindrajan2020_4,
title = {Microkinetic Model for pH- and Potential-Dependent Oxygen Evolution During Water Splitting on Fe-Doped β-NiOOH},
author = {Govind Rajan, Ananth and Emily A. Carter},
url = {https://pubs.rsc.org/en/content/articlelanding/2020/ee/d0ee02292f#!divAbstract},
doi = {10.1039/D0EE02292F},
year = {2020},
date = {2020-10-14},
urldate = {2020-10-14},
journal = {Energy and Environmental Science},
volume = {13},
pages = {4962-4976},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Carter, Emily A. Discovering Competing Electrocatalytic Mechanisms and their Overpotentials: Automated Enumeration of Oxygen Evolution Pathways Journal Article In: The Journal of Physical Chemistry C, vol. 124, no. 45, pp. 24883-24898, 2020. @article{govindrajan2020_3,
title = {Discovering Competing Electrocatalytic Mechanisms and their Overpotentials: Automated Enumeration of Oxygen Evolution Pathways},
author = {Govind Rajan, Ananth and Emily A. Carter},
url = {https://doi.org/10.1021/acs.jpcc.0c08120},
doi = {10.1021/acs.jpcc.0c08120},
year = {2020},
date = {2020-10-12},
urldate = {2020-10-12},
journal = {The Journal of Physical Chemistry C},
volume = {124},
number = {45},
pages = {24883-24898},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Gupta, Ankur; Govind Rajan, Ananth; Carter, Emily A.; Stone, Howard A. Ionic Layering and Overcharging in Electrical Double Layers in a Poisson-Boltzmann Model Journal Article In: Physical Review Letters, vol. 125, no. 18, pp. 188004, 2020. @article{gupta2020b,
title = {Ionic Layering and Overcharging in Electrical Double Layers in a Poisson-Boltzmann Model},
author = {Ankur Gupta and Govind Rajan, Ananth and Emily A. Carter and Howard A. Stone},
url = {https://doi.org/10.1103/PhysRevLett.125.188004},
doi = {10.1103/PhysRevLett.125.188004},
year = {2020},
date = {2020-10-10},
urldate = {2020-10-10},
journal = {Physical Review Letters},
volume = {125},
number = {18},
pages = {188004},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Dong, Juyao; Lee, Michael A.; Govind Rajan, Ananth; Rahaman, Imon; Sun, Jessica H.; Park, Minkyung; Salem, Daniel P.; and Michael S. Strano, A synthetic mimic of phosphodiesterase type 5 based on corona phase molecular recognition of single-walled carbon nanotubes Journal Article In: Proceedings of the National Academy of Sciences, vol. 117, no. 43, pp. 26616-26625, 2020. @article{dong2020,
title = {A synthetic mimic of phosphodiesterase type 5 based on corona phase molecular recognition of single-walled carbon nanotubes},
author = {Juyao Dong and Michael A. Lee and Govind Rajan, Ananth and Imon Rahaman and Jessica H. Sun and Minkyung Park and Daniel P. Salem and and Michael S. Strano},
url = {https://doi.org/10.1073/pnas.1920352117},
doi = {10.1073/pnas.1920352117},
year = {2020},
date = {2020-10-06},
urldate = {2020-10-06},
journal = {Proceedings of the National Academy of Sciences},
volume = {117},
number = {43},
pages = {26616-26625},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Martirez, John Mark P.; Carter, Emily A. Why do we use the materials and operating conditions we use for heterogeneous (photo)electrochemical water splitting? Journal Article In: ACS Catalysis, vol. 10, no. 19, pp. 11177-11234, 2020. @article{govindrajan2020,
title = {Why do we use the materials and operating conditions we use for heterogeneous (photo)electrochemical water splitting?},
author = {Govind Rajan, Ananth and John Mark P. Martirez and Emily A. Carter},
url = {https://doi.org/10.1021/acscatal.0c01862},
doi = {10.1021/acscatal.0c01862},
year = {2020},
date = {2020-08-10},
urldate = {2020-08-10},
journal = {ACS Catalysis},
volume = {10},
number = {19},
pages = {11177-11234},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Martirez, John Mark P; Carter, Emily A Facet-Independent Oxygen Evolution Activity of Pure β-NiOOH: Different Chemistries Leading to Similar Overpotentials Journal Article In: Journal of the American Chemical Society, vol. 142, no. 7, pp. 3600–3612, 2020. @article{govind2020facet,
title = {Facet-Independent Oxygen Evolution Activity of Pure β-NiOOH: Different Chemistries Leading to Similar Overpotentials},
author = {Govind Rajan, Ananth and John Mark P Martirez and Emily A Carter},
doi = {10.1021/jacs.9b13708},
year = {2020},
date = {2020-01-01},
urldate = {2020-01-01},
journal = {Journal of the American Chemical Society},
volume = {142},
number = {7},
pages = {3600--3612},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
2019
|
Drahushuk*, Lee W; Govind Rajan, Ananth*; Strano, Michael S Fundamental Scaling Laws for the Direct-Write Chemical Vapor Deposition of Nanoscale Features: Modeling Mass Transport Around A Translating Nanonozzle Journal Article In: Nanoscale, 2019. @article{drahushuk2019fundamental,
title = {Fundamental Scaling Laws for the Direct-Write Chemical Vapor Deposition of Nanoscale Features: Modeling Mass Transport Around A Translating Nanonozzle},
author = {Lee W Drahushuk* and Govind Rajan, Ananth* and Michael S Strano},
doi = {10.1039/C8NR10366F},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Nanoscale},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Cardellini, Annalisa; Alberghini, Matteo; Govind Rajan, Ananth; Misra, Rahul Prasanna; Blankschtein, Daniel; Asinari, Pietro Multi-scale approach for modeling stability, aggregation, and network formation of nanoparticles suspended in aqueous solutions Journal Article In: Nanoscale, vol. 11, no. 9, pp. 3979–3992, 2019. @article{cardellini2019multi,
title = {Multi-scale approach for modeling stability, aggregation, and network formation of nanoparticles suspended in aqueous solutions},
author = {Annalisa Cardellini and Matteo Alberghini and Govind Rajan, Ananth and Rahul Prasanna Misra and Daniel Blankschtein and Pietro Asinari},
doi = {10.1039/C8NR08782B},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Nanoscale},
volume = {11},
number = {9},
pages = {3979--3992},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Silmore, Kevin S; Swett, Jacob; Robertson, Alex W; Warner, Jamie H; Blankschtein, Daniel; Strano, Michael S Addressing the isomer cataloguing problem for nanopores in two-dimensional materials Journal Article In: Nature materials, vol. 18, no. 2, pp. 129, 2019. @article{govind2019addressing,
title = {Addressing the isomer cataloguing problem for nanopores in two-dimensional materials},
author = {Govind Rajan, Ananth and Kevin S Silmore and Jacob Swett and Alex W Robertson and Jamie H Warner and Daniel Blankschtein and Michael S Strano},
url = {http://web.mit.edu/spotlight/cataloging-graphene-defects/
http://news.mit.edu/2019/catalog-atom-vacancy-2-d-materials-0114
},
doi = {10.1038/s41563-018-0258-3},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Nature materials},
volume = {18},
number = {2},
pages = {129},
publisher = {Nature Publishing Group},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|
Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel Liquids with Lower Wettability Can Exhibit Higher Friction on Hexagonal Boron Nitride: The Intriguing Role of Solid-Liquid Electrostatic Interactions Journal Article In: Nano letters, vol. 19, no. 3, pp. 1539–1551, 2019. @article{govind2019liquids,
title = {Liquids with Lower Wettability Can Exhibit Higher Friction on Hexagonal Boron Nitride: The Intriguing Role of Solid-Liquid Electrostatic Interactions},
author = {Govind Rajan, Ananth and Michael S Strano and Daniel Blankschtein},
doi = {10.1021/acs.nanolett.8b04335},
year = {2019},
date = {2019-01-01},
urldate = {2019-01-01},
journal = {Nano letters},
volume = {19},
number = {3},
pages = {1539--1551},
publisher = {American Chemical Society},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
|