Aparna Harshan

Aparna Harshan


Hydrogen Evolution Molecular Catalysts; Nonadiabatic Effects in Proton-Coupled Electron Transfer Reactions

aparnak2@illinois.edu

(217) 300-1480

M.Sc. in Chemistry, 2013
National Institute of Science Education and Research, Bhubaneswar, India

Publications

Characterization of NiFe oxyhydroxide electrocatalysts by integrated electron structure calculations and spectroelectrochemistry

225. Z. K. Goldsmith, A. K. Harshan, J. B. Gerken, M. Voros, G. Galli, S. S. Stahl, and S. Hammes-Schiffer, “Characterization of NiFe oxyhydroxide electrocatalysts by integrated electron structure calculations and spectroelectrochemistry,” Proc. Nat. Acad. Sci. USA 114, 3050-3055 (2017).

Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic pathways for hydrogen evolution

207. A. K. Harshan, B. H. Solis, J. R. Winkler, H. B. Gray, and S. Hammes-Schiffer, “Computational study of fluorinated diglyoxime-iron complexes: Tuning the electrocatalytic pathways for hydrogen evolution,” Inorg. Chem. 55, 2934–2940 (2016).

Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer

197. A. K. Harshan, T. Yu, A. V. Soudackov, and S. Hammes-Schiffer, “Dependence of vibronic coupling on molecular geometry and environment: Bridging hydrogen atom transfer and electron-proton transfer,” J. Am. Chem. Soc. 137, 13545-13555 (2015).