| 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 | 776 | 2015 |
| Ab Initio Prediction of Piezoelectricity in Two-Dimensional Materials MN Blonsky, HL Zhuang, AK Singh, RG Hennig ACS nano 9 (10), 9885-9891, 2015 | 556 | 2015 |
| 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 | 399 | 2013 |
| Computational prediction of two-dimensional group-IV mono-chalcogenides AK Singh, RG Hennig Applied Physics Letters 105 (4), 2014 | 313 | 2014 |
| Electrochemical stability of metastable materials AK Singh, L Zhou, A Shinde, SK Suram, JH Montoya, D Winston, ... Chemistry of Materials 29 (23), 10159-10167, 2017 | 293 | 2017 |
| 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 | 276 | 2013 |
| Ab initio synthesis of single-layer III-V materials AK Singh, HL Zhuang, RG Hennig Physical Review B 89 (24), 245431, 2014 | 235 | 2014 |
| Characterization of Few-Layer 1T′ MoTe2 by Polarization-Resolved Second Harmonic Generation and Raman Scattering R Beams, LG Cançado, S Krylyuk, I Kalish, B Kalanyan, AK Singh, ... ACS nano 10 (10), 9626-9636, 2016 | 193 | 2016 |
| Robust and Synthesizable Photocatalysts for CO2 Reduction: A Data-Driven Materials Discovery AK Singh, JH Montoya, JM Gregoire, KA Persson Nature Communications, 2019 | 184 | 2019 |
| MPInterfaces: A Materials Project based Python tool for high-throughput computational screening of interfacial systems K Mathew, AK Singh, JJ Gabriel, K Choudhary, SB Sinnott, AV Davydov, ... Computational Materials Science 122, 183-190, 2016 | 143 | 2016 |
| Rutile Alloys in the Mn–Sb–O System Stabilize Mn3+ To Enable Oxygen Evolution in Strong Acid L Zhou, A Shinde, JH Montoya, A Singh, S Gul, J Yano, Y Ye, EJ Crumlin, ... Acs Catalysis 8 (12), 10938-10948, 2018 | 130 | 2018 |
| Computational Methods for 2D Materials: Discovery, Property Characterization, and Application Design J Paul, A Singh, Z Dong, H Zhuang, B Revard, B Rijal, M Ashton, ... Journal of Physics: Condensed Matter, 2017 | 111 | 2017 |
| Doping-controlled phase transitions in single-layer MoS2 Houlong L. Zhuang, Michelle D. Johannes, Arunima K. Singh, Richard G. Hennig Physical Review B 96, 165305, 2017 | 92* | 2017 |
| The structural phases and vibrational properties of Mo1− xWxTe2 alloys SM Oliver, R Beams, S Krylyuk, I Kalish, AK Singh, A Bruma, F Tavazza, ... 2D Materials 4 (4), 045008, 2017 | 87 | 2017 |
| Discovery of manganese-based solar fuel photoanodes via integration of electronic structure calculations, pourbaix stability modeling, and high-throughput experiments A Shinde, SK Suram, Q Yan, L Zhou, AK Singh, J Yu, KA Persson, ... ACS Energy Letters 2 (10), 2307-2312, 2017 | 52 | 2017 |
| Computational synthesis of single-layer GaN on refractory materials AK Singh, RG Hennig Applied Physics Letters 105 (5), 2014 | 51 | 2014 |
| Analyzing Fe–Zn system using molecular dynamics, evolutionary neural nets and multi-objective genetic algorithms B Bhattacharya, GRD Kumar, A Agarwal, Ş Erkoç, A Singh, N Chakraborti Computational Materials Science 46 (4), 821-827, 2009 | 48 | 2009 |
| Al2O3 as a suitable substrate and a dielectric layer for n-layer MoS2 AK Singh, RG Hennig, AV Davydov, F Tavazza Applied Physics Letters 107 (5), 2015 | 46 | 2015 |
| An antimony selenide molecular ink for flexible broadband photodetectors MR Hasan, ES Arinze, AK Singh, VP Oleshko, S Guo, A Rani, Y Cheng, ... Advanced electronic materials 2 (9), 1600182, 2016 | 40 | 2016 |
| Scaling relation for thermal ripples in single and multilayer graphene AK Singh, RG Hennig Physical Review B—Condensed Matter and Materials Physics 87 (9), 094112, 2013 | 36 | 2013 |
Richard G. HennigUniversity of FloridaVerified email at ufl.edu
