| 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 | 207 | 2015 |
| 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 | 155 | 2013 |
| 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 | 111 | 2008 |
| 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 | 97 | 2014 |
| 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 | 96 | 2009 |
| Water adsorption and insertion in MOF-5 Y Ming, N Kumar, DJ Siegel ACS omega 2 (8), 4921-4928, 2017 | 93 | 2017 |
| 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 | 84 | 2015 |
| 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 | 68 | 2016 |
| 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—Condensed Matter and Materials Physics 85 (16), 167401, 2012 | 65 | 2012 |
| 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 | 62 | 2014 |
| 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 | 47 | 2015 |
| 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), 2011 | 47 | 2011 |
| 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 | 44 | 2017 |
| 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 | 44 | 2013 |
| Comparison of vibrations of water on rutile and cassiterite surface N Kumar, P Kent, A Bandura, J Kubicki, J Sofo Twentieth Annual Goldschmidt Conference, 546, 2010 | 1 | 2010 |
| 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 Bulletin of the American Physical Society 57, 2012 | | 2012 |
James KubickiProfessor of Geological Sciences, University of Texas at El PasoVerified email at utep.edu
