| Significant enhancement of hydrogen evolution reaction activity by negatively charged Pt through light doping of W D Kobayashi, H Kobayashi, D Wu, S Okazoe, K Kusada, T Yamamoto, ... Journal of the American Chemical Society 142 (41), 17250-17254, 2020 | 108 | 2020 |
| First-principles study of the adsorption of water on tri-s-triazine-based graphitic carbon nitride SM Aspera, M David, H Kasai Japanese Journal of Applied Physics 49 (11R), 115703, 2010 | 73 | 2010 |
| Density functional theory-based analysis on O2 molecular interaction with the tri-s-triazine-based graphitic carbon nitride SM Aspera, H Kasai, H Kawai Surface science 606 (11-12), 892-901, 2012 | 64 | 2012 |
| Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design RL Arevalo, SM Aspera, MCS Escaño, H Nakanishi, H Kasai Scientific reports 7 (1), 13963, 2017 | 56 | 2017 |
| A first-principles study on defect association and oxygen ion migration of Sm3+ and Gd3+ co-doped ceria M Alaydrus, M Sakaue, SM Aspera, TDK Wungu, TPT Linh, H Kasai, ... Journal of Physics: Condensed Matter 25 (22), 225401, 2013 | 42 | 2013 |
| Absorption of lithium in montmorillonite: a density functional theory (DFT) study TDK Wungu, SM Aspera, MY David, HK Dipojono, H Nakanishi, H Kasai Journal of nanoscience and nanotechnology 11 (4), 2793-2801, 2011 | 36 | 2011 |
| Analysis of structural and electronic properties of Pr2NiO4 through first-principles calculations SM Aspera, M Sakaue, TDK Wungu, M Alaydrus, TPT Linh, H Kasai, ... Journal of Physics: Condensed Matter 24 (40), 405504, 2012 | 30 | 2012 |
| Boosting reverse water-gas shift reaction activity of Pt nanoparticles through light doping of W D Kobayashi, H Kobayashi, K Kusada, T Yamamoto, T Toriyama, ... Journal of Materials Chemistry A 9 (28), 15613-15617, 2021 | 24 | 2021 |
| Rational synthesis for a noble metal carbide T Wakisaka, K Kusada, D Wu, T Yamamoto, T Toriyama, S Matsumura, ... Journal of the American Chemical Society 142 (3), 1247-1253, 2019 | 20 | 2019 |
| First principles calculations of transition metal binary alloys: Phase stability and surface effects SM Aspera, RL Arevalo, K Shimizu, R Kishida, K Kojima, NH Linh, ... Journal of Electronic Materials 46, 3776-3783, 2017 | 18 | 2017 |
| A DFT+U Study of Strain-Dependent Ionic Migration in Sm-Doped Ceria M Alaydrus, M Sakaue, SM Aspera, TDK Wungu, NH Linh, TPT Linh, ... journal of the physical society of japan 83 (9), 094707, 2014 | 17 | 2014 |
| Ru-catalyzed steam methane reforming: Mechanistic study from first principles calculations RL Arevalo, SM Aspera, MC Sison Escaño, H Nakanishi, H Kasai ACS omega 2 (4), 1295-1301, 2017 | 16 | 2017 |
| Sulfation of a PdO (101) methane oxidation catalyst: mechanism revealed by first principles calculations RL Arevalo, SM Aspera, H Nakanishi Catalysis Science & Technology 9 (1), 232-240, 2019 | 15 | 2019 |
| Density functional theory study on the interaction of O2 molecule with cobalt–(6) pyrrole clusters HK Dipojono, AG Saputro, SM Aspera, H Kasai Japanese Journal of Applied Physics 50 (5R), 055702, 2011 | 14 | 2011 |
| First principles study of methane decomposition on B5 step-edge type site of Ru surface RL Arevalo, SM Aspera, MCS Escaño, H Nakanishi, H Kasai Journal of Physics: Condensed Matter 29 (18), 184001, 2017 | 13 | 2017 |
| Realization of the Switching Mechanism in Resistance Random Access Memory™ Devices: Structural and Electronic Properties Affecting Electron Conductivity in a Hafnium Oxide … SM Aspera, H Kasai, H Kishi, N Awaya, S Ohnishi, Y Tamai Journal of electronic materials 42, 143-150, 2013 | 13 | 2013 |
| First-principles study on oxygen ion conduction of La2GeO5 based on the density functional theory M Sakaue, WT Cahyanto, WTD Kencana, SM Aspera, K Miwa, H Kishi, ... Journal of Physics: Conference Series 379 (1), 012012, 2012 | 13 | 2012 |
| A computational study on the effect of local curvature on the adsorption of oxygen on single-walled carbon nanotubes J Moreno, S Aspera, M David, H Kasai Carbon 94, 936-941, 2015 | 12 | 2015 |
| NO adsorption effects on various functional molecular nanowires TQ Nguyen, SM Aspera, H Nakanishi, H Kasai Computational materials science 47 (1), 111-120, 2009 | 12 | 2009 |
| Density functional theory-based First Principles calculations of rhododendrol-quinone reactions: Preference to thiol binding over cyclization R Kishida, H Kasai, SM Aspera, RL Arevalo, H Nakanishi journal of the physical society of japan 86 (2), 024804, 2017 | 11 | 2017 |
