| Phosphorene as an anode material for Na-ion batteries: a first-principles study VV Kulish, OI Malyi, C Persson, P Wu Physical Chemistry Chemical Physics 17 (21), 13921-13928, 2015 | 401 | 2015 |
| Adsorption of metal adatoms on single-layer phosphorene VV Kulish, OI Malyi, C Persson, P Wu Physical Chemistry Chemical Physics 17 (2), 992-1000, 2015 | 336 | 2015 |
| Single-layer metal halides MX2 (X= Cl, Br, I): stability and tunable magnetism from first principles and Monte Carlo simulations VV Kulish, W Huang Journal of Materials Chemistry C 5 (34), 8734-8741, 2017 | 284 | 2017 |
| A computational study of Na behavior on graphene OI Malyi, K Sopiha, VV Kulish, TL Tan, S Manzhos, C Persson Applied Surface Science 333, 235-243, 2015 | 109 | 2015 |
| A computational study of the insertion of Li, Na, and Mg atoms into Si (111) nanosheets O Malyi, VV Kulish, TL Tan, S Manzhos Nano Energy 2 (6), 1149-1157, 2013 | 90 | 2013 |
| Comparison of Li, Na, Mg and Al-ion insertion in vanadium pentoxides and vanadium dioxides VV Kulish, S Manzhos RSC Advances 7 (30), 18643-18649, 2017 | 86 | 2017 |
| Controlling Na diffusion by rational design of Si-based layered architectures VV Kulish, OI Malyi, MF Ng, Z Chen, S Manzhos, P Wu Physical Chemistry Chemical Physics 16 (9), 4260-4267, 2014 | 82 | 2014 |
| Enhanced Li adsorption and diffusion in silicon nanosheets based on first principles calculations VV Kulish, OI Malyi, MF Ng, P Wu, Z Chen RSC Advances 3 (13), 4231–4236, 2013 | 72 | 2013 |
| Tunable Bandgap Narrowing Induced by Controlled Molecular Thickness in 2D Mica Nanosheets SS Kim, TV Khai, V Kulish, YH Kim, HG Na, A Katoch, M Osada, P Wu, ... Chemistry of Materials 27 (12), 4222-4228, 2015 | 59 | 2015 |
| Surface reactivity and vacancy defects in single-layer borophene polymorphs VV Kulish Physical Chemistry Chemical Physics 19 (18), 11273-11281, 2017 | 57 | 2017 |
| Formation and migration of oxygen and zirconium vacancies in cubic zirconia and zirconium oxysulfide OI Malyi, P Wu, VV Kulish, K Bai, Z Chen Solid State Ionics 212, 117-122, 2012 | 51 | 2012 |
| Promotion of acceptor formation in SnO2 nanowires by e-beam bombardment and impacts to sensor application S Sub Kim, H Gil Na, H Woo Kim, V Kulish, P Wu Scientific Reports 5 (1), 10723, 2015 | 49 | 2015 |
| In search of new reconstructions of (001) α-quartz surface: a first principles study OI Malyi, VV Kulish, C Persson RSC Advances, 2014 | 47 | 2014 |
| Ab initio study of Li, Mg and Al insertion into rutile VO2: fast diffusion and enhanced voltages for multivalent batteries VV Kulish, D Koch, S Manzhos Physical Chemistry Chemical Physics 19 (33), 22538-22545, 2017 | 44 | 2017 |
| Anomalously enhanced thermal stability of phosphorene via metal adatom doping: An experimental and first-principles study X Feng, VV Kulish, P Wu, X Liu, KW Ang Nano Research, 1-9, 2016 | 40 | 2016 |
| Aluminium and magnesium insertion in sulfur-based spinels: a first-principles study VV Kulish, D Koch, S Manzhos Physical Chemistry Chemical Physics 19 (8), 6076-6081, 2017 | 34 | 2017 |
| Density functional theory study of the effects of alloying additions on sulfur adsorption on nickel surfaces OI Malyi, Z Chen, VV Kulish, K Bai, P Wu Applied Surface Science 264, 320-328, 2013 | 34 | 2013 |
| Acceptor-Compensated Charge Transport and Surface Chemical Reactions in Au-Implanted SnO2 Nanowires A Katoch, GJ Sun, SW Choi, S Hishita, VV Kulish, P Wu, SS Kim Scientific Reports 4 (1), 4622, 2014 | 33 | 2014 |
| A first-principles study of potassium insertion in crystalline vanadium oxide phases as possible potassium-ion battery cathode materials D Koch, VV Kulish, S Manzhos MRS Communications 7 (4), 819-825, 2017 | 28 | 2017 |
| Enhanced Li Adsorption and Diffusion in Single‐Walled Silicon Nanotubes: An ab Initio Study VV Kulish, MF Ng, OI Malyi, P Wu, Z Chen ChemPhysChem 14 (6), 1161-1167, 2013 | 24 | 2013 |
Oleksandr I. MalyiInverse Materials Design groupEmail verificata su e.ntu.edu.sg