Implicit solvation model for density-functional study of nanocrystal surfaces and reaction pathways K Mathew, R Sundararaman, K Letchworth-Weaver, TA Arias, RG Hennig The Journal of chemical physics 140 (8), 2014 | 2084 | 2014 |
Single-layer group-III monochalcogenide photocatalysts for water splitting HL Zhuang, RG Hennig Chemistry of Materials 25 (15), 3232-3238, 2013 | 758 | 2013 |
Computational screening of 2D materials for photocatalysis AK Singh, K Mathew, HL Zhuang, RG Hennig The journal of physical chemistry letters 6 (6), 1087-1098, 2015 | 728 | 2015 |
Implicit self-consistent electrolyte model in plane-wave density-functional theory K Mathew, VS Kolluru, S Mula, SN Steinmann, RG Hennig The Journal of chemical physics 151 (23), 2019 | 691 | 2019 |
Alleviation of the fermion-sign problem by optimization of many-body wave functions CJ Umrigar, J Toulouse, C Filippi, S Sorella, RG Hennig Physical review letters 98 (11), 110201, 2007 | 581 | 2007 |
Computational search for single-layer transition-metal dichalcogenide photocatalysts HL Zhuang, RG Hennig The Journal of Physical Chemistry C 117 (40), 20440-20445, 2013 | 542 | 2013 |
Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials MN Blonsky, HL Zhuang, AK Singh, RG Hennig ACS nano 9 (10), 9885-9891, 2015 | 503 | 2015 |
First blind test of inorganic crystal structure prediction methods. AR Oganov, JC Schön, SM Woodley, WW Tipton, RG Hennig WILEY-VCH, 2011 | 457* | 2011 |
Softened elastic response and unzipping in chemical vapor deposition graphene membranes CS Ruiz-Vargas, HL Zhuang, PY Huang, AM Van Der Zande, S Garg, ... Nano letters 11 (6), 2259-2263, 2011 | 426 | 2011 |
Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet HL Zhuang, PRC Kent, RG Hennig Physical Review B 93 (13), 134407, 2016 | 402 | 2016 |
Topology-scaling identification of layered solids and stable exfoliated 2D materials M Ashton, J Paul, SB Sinnott, RG Hennig Physical review letters 118 (10), 106101, 2017 | 392 | 2017 |
Computational discovery of single-layer III-V materials HL Zhuang, AK Singh, RG Hennig Physical Review B—Condensed Matter and Materials Physics 87 (16), 165415, 2013 | 391 | 2013 |
Angle-resolved Raman imaging of interlayer rotations and interactions in twisted bilayer graphene RW Havener, H Zhuang, L Brown, RG Hennig, J Park Nano letters 12 (6), 3162-3167, 2012 | 373 | 2012 |
Enhanced Li–S batteries using amine-functionalized carbon nanotubes in the cathode L Ma, HL Zhuang, S Wei, KE Hendrickson, MS Kim, G Cohn, RG Hennig, ... ACS nano 10 (1), 1050-1059, 2016 | 341 | 2016 |
Computational prediction of two-dimensional group-IV mono-chalcogenides AK Singh, RG Hennig Applied Physics Letters 105 (4), 2014 | 294 | 2014 |
Predicting nanocrystal shape through consideration of surface-ligand interactions CR Bealing, WJ Baumgardner, JJ Choi, T Hanrath, RG Hennig ACS nano 6 (3), 2118-2127, 2012 | 291 | 2012 |
Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper M Fishman, HL Zhuang, K Mathew, W Dirschka, RG Hennig Physical Review B—Condensed Matter and Materials Physics 87 (24), 245402, 2013 | 285 | 2013 |
Impurities block the α to ω martensitic transformation in titanium RG Hennig, DR Trinkle, J Bouchet, SG Srinivasan, RC Albers, JW Wilkins Nature materials 4 (2), 129-133, 2005 | 271 | 2005 |
van der Waals epitaxial growth of graphene on sapphire by chemical vapor deposition without a metal catalyst J Hwang, M Kim, D Campbell, HA Alsalman, JY Kwak, S Shivaraman, ... Acs Nano 7 (1), 385-395, 2013 | 267 | 2013 |
Theoretical perspective of photocatalytic properties of single-layer SnS HL Zhuang, RG Hennig Physical Review B—Condensed Matter and Materials Physics 88 (11), 115314, 2013 | 252 | 2013 |