Commercial water-splitting electrolyzers operate at elevated temperature and pressure. Here, we develop a general framework for describing the coupled effects of temperature, pressure, and pH on various phenomena relevant to the oxygen evolution reaction (OER) involved in water splitting. These Read More …
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Research on gas separation via graphene nanopore ensembles published in ACS Nano
Our collaborative work with the research groups of Profs. Daniel Blankschtein and Michael Strano at MIT, on gas transport through graphene nanopore ensembles, was published in ACS Nano. The paper can be accessed here: https://pubs.acs.org/doi/abs/10.1021/acsnano.0c09420.
Collaborative theory on electrostatic correlations published in JPCC
A new theory for modeling electrostatic correlations in electrical double layers, in collaboration with Profs. Ankur Gupta, Emily Carter, and Howard Stone, from University of Colorado, Boulder; University of California, Los Angeles; and Princeton University, respectively, was recently published in Read More …
Microkinetic model for water oxidation published in Energy & Environmental Science
Prof. Ananth’s collaborative work with Prof. Emily A. Carter of UCLA, regarding the development of a microkinetic model for oxygen evolution during water splitting, was published in Energy & Environmental Science. The work is titled “Microkinetic Model for pH- and Read More …
New method for electrocatalytic mechanism enumeration published in JPCC
A new article by Profs. Ananth Govind Rajan and Emily A. Carter, entitled “Discovering Competing Electrocatalytic Mechanisms and Their Overpotentials: Automated Enumeration of Oxygen Evolution Pathways” was recently published in The Journal of Physical Chemistry C. The associated code for Read More …
Collaborative theory on electrical double layers published in PRL
A new theory for predicting ionic concentration oscillations and overcharging in electrical double layers, in collaboration with Profs. Ankur Gupta, Emily Carter, and Howard Stone, from University of Colorado, Boulder; University of California, Los Angeles; and Princeton University, respectively, was Read More …
Paper on synthetic molecular recognition published in PNAS
Ananth’s collaborative work with Prof. Michael S. Strano’s research group at MIT was recently published in the Proceedings of the National Academy of Sciences of the USA. The paper, entitled, “A synthetic mimic of phosphodiesterase type 5 based on corona Read More …
Immediate opening for a postdoc position
We have an open position for a postdoctoral scholar. Please reach out to Prof. Ananth Govind Rajan with your cover letter, CV, and list of references. Postdoctoral applicants should have a strong background in theoretical research, including the use of Read More …
Review paper on water splitting out in ACS Catalysis
Our review paper entitled “Why do we use the materials and operating conditions we use for heterogeneous (photo)electrochemical water splitting?” appeared recently in ACS Catalysis. In this review, we discuss how theory and simulations can be a valuable tool in Read More …