Aravind Asthagiri

发表

Thin Pt films on the polar SrTiO3(111) surface: an experimental and theoretical study

David S. Sholl, Paul A. Salvador, Christoph Niederberger, 2003 .

Structure and energetics of 180° domain walls in PbTiO3 by density functional theory

Donghwa Lee, Venkatraman Gopalan, Chan-Woo Lee, 2011, Journal of physics. Condensed matter : an Institute of Physics journal.

Facet Dependence of CO2 Reduction Paths on Cu Electrodes

Michael J. Janik, A. Asthagiri, X. Nie, 2016 .

Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps.

A. Asthagiri, X. Nie, M. Janik, 2013, Angewandte Chemie.

Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals.

A. Asthagiri, X. Nie, M. Janik, 2014, Physical chemistry chemical physics : PCCP.

Second-generation charge-optimized many-body potential for Si/SiO2 and amorphous silica

Tzu-Ray Shan, Susan B. Sinnott, Simon R. Phillpot, 2010 .

Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory

Michael J. Janik, A. Asthagiri, X. Nie, 2014 .

Atomic-Level Simulation of Ferroelectricity in Oxides: Current Status and Opportunities

Susan B. Sinnott, Simon R. Phillpot, S. Sinnott, 2007 .

Naturally Chiral Metal Surfaces as Enantiospecific Adsorbents

David S. Sholl, D. Sholl, A. Asthagiri, 2001 .

A first-principles study of Pt thin films on SrTiO3(100): Support effects on CO adsorption.

Simuck F. Yuk, A. Asthagiri, Aravind Asthagiri, 2015, The Journal of chemical physics.

Hole Thermalization Dynamics Facilitate Ultrafast Spatial Charge Separation in CuFeO2 Solar Photocathodes

A. Asthagiri, S. Biswas, Aravind Asthagiri, 2018 .