Nitin Kumar
Title
Cited by
Cited by
Year
ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials
MM Islam, A Ostadhossein, O Borodin, AT Yeates, WW Tipton, RG Hennig, ...
Physical Chemistry Chemical Physics 17 (5), 3383-3393, 2015
1072015
Surface protonation at the rutile (110) interface: Explicit incorporation of solvation structure within the Refined MUSIC Model framework
ML Machesky, M Predota, DJ Wesolowski, L Vlcek, PT Cummings, ...
Langmuir 24 (21), 12331-12339, 2008
962008
Development of a ReaxFF reactive force field for titanium dioxide/water systems
SY Kim, N Kumar, P Persson, J Sofo, ACT Van Duin, JD Kubicki
Langmuir 29 (25), 7838-7846, 2013
842013
Hydrogen bonds and vibrations of water on (110) rutile
N Kumar, S Neogi, PRC Kent, AV Bandura, JD Kubicki, DJ Wesolowski, ...
The Journal of Physical Chemistry C 113 (31), 13732-13740, 2009
792009
Crystal Surface and State of Charge Dependencies of Electrolyte Decomposition on LiMn2O4 Cathode
N Kumar, K Leung, DJ Siegel
Journal of The Electrochemical Society 161 (8), E3059-E3065, 2014
612014
DMSO–Li2O2 Interface in the Rechargeable Li–O2 Battery Cathode: Theoretical and Experimental Perspectives on Stability
MA Schroeder, N Kumar, AJ Pearse, C Liu, SB Lee, GW Rubloff, K Leung, ...
ACS applied materials & interfaces 7 (21), 11402-11411, 2015
572015
Comment on “Structure and dynamics of liquid water on rutile TiO(110)”
DJ Wesolowski, JO Sofo, AV Bandura, Z Zhang, E Mamontov, M Předota, ...
Physical Review B 85 (16), 167401, 2012
492012
Vibrational density of states of strongly H-bonded interfacial water: Insights from inelastic neutron scattering and theory
HW Wang, MJ DelloStritto, N Kumar, AI Kolesnikov, PRC Kent, JD Kubicki, ...
The Journal of Physical Chemistry C 118 (20), 10805-10813, 2014
462014
Faster proton transfer dynamics of water on SnO2 compared to TiO2
N Kumar, PRC Kent, AV Bandura, JD Kubicki, DJ Wesolowski, DR Cole, ...
The Journal of chemical physics 134 (4), 044706, 2011
372011
Interface-induced renormalization of electrolyte energy levels in magnesium batteries
N Kumar, DJ Siegel
The journal of physical chemistry letters 7 (5), 874-881, 2016
362016
Surface-mediated solvent decomposition in Li–air batteries: impact of peroxide and superoxide surface terminations
N Kumar, MD Radin, BC Wood, T Ogitsu, DJ Siegel
The Journal of Physical Chemistry C 119 (17), 9050-9060, 2015
362015
Modeling water adsorption on rutile (110) using van der Waals density functional and DFT+ U methods
N Kumar, PRC Kent, DJ Wesolowski, JD Kubicki
The Journal of Physical Chemistry C 117 (45), 23638-23644, 2013
332013
Water adsorption and insertion in MOF-5
Y Ming, N Kumar, DJ Siegel
ACS omega 2 (8), 4921-4928, 2017
312017
Adiabatic and Nonadiabatic Charge Transport in Li-S Batteries
H Park, N Kumar, M Melander, T Vegge, JM Garcia Lastra, DJ Siegel
Chemistry of Materials, 2017
172017
Comparison of vibrations of water on rutile and cassiterite surface
N Kumar, PRC Kent, A Bandura, JD Kubicki, JO Sofo
Geochimica Et Cosmochimica Acta 74 (12), A546-A546, 2010
12010
Imitating beyond-DFT calculations via external on-site potentials
N Kumar, S Lany
Bulletin of the American Physical Society 65, 2020
2020
Ethylene Carbonate Decomposition On LiMn2O4 (111) Surface
N Kumar, K Leung, D Siegel
ECS Meeting Abstracts, 936, 2013
2013
First-principles simulations of performance-limiting mechanisms in Li-air batteries
DJ Siegel, M Radin, F Tian, N Kumar
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013
2013
Structure and dynamics of the first few layers of water on rutile-structured TiO2 and SnO2 (110) surfaces of bulk crystals and nanoparticles: Progress and controversy
DJ Wesolowski, HW Wang, W Wang, E Mamontov, L Vlcek, PR Kent, ...
Abstracts of Papers of the American Chemical Society, 2013
2013
Hydrogen bond density and strength analysis on hydrated Rutile (110) and Cassiterite (110) surfaces
N Kumar, P Kent, A Bandura, D Wesolowski, J Kubicki, J Sofo
APS March Meeting Abstracts 2012, H36. 008, 2012
2012
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Articles 1–20