| Platinum nanoparticle during electrochemical hydrogen evolution: adsorbate distribution, active reaction species, and size effect TL Tan, LL Wang, J Zhang, DD Johnson, K Bai ACS Catalysis 5 (4), 2376-2383, 2015 | 122 | 2015 |
| Electronic Structure and Optical Properties of AFeO2 (A = Ag, Cu) within GGA Calculations KP Ong, K Bai, P Blaha, P Wu Chemistry of materials 19 (3), 634-640, 2007 | 118 | 2007 |
| A comprehensive search for stable Pt–Pd nanoalloy configurations and their use as tunable catalysts TL Tan, LL Wang, DD Johnson, K Bai Nano letters 12 (9), 4875-4880, 2012 | 113 | 2012 |
| Thermodynamic evaluations and optimizations of binary Mg-light rare Earth (La, Ce, Pr, Nd, Sm) systems YB Kang, L Jin, P Chartrand, AE Gheribi, K Bai, P Wu Calphad 38, 100-116, 2012 | 80 | 2012 |
| Revealing high-fidelity phase selection rules for high entropy alloys: A combined CALPHAD and machine learning study Y Zeng, M Man, K Bai, YW Zhang Materials & Design 202, 109532, 2021 | 62 | 2021 |
| 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 |
| Hydrogen deposition on Pt (111) during electrochemical hydrogen evolution from a first-principles multiadsorption-site study TL Tan, LL Wang, DD Johnson, K Bai The Journal of Physical Chemistry C 117 (44), 22696-22704, 2013 | 49 | 2013 |
| Prediction of interstitial diffusion activation energies of nitrogen, oxygen, boron and carbon in bcc, fcc, and hcp metals using machine learning Y Zeng, Q Li, K Bai Computational Materials Science 144, 232-247, 2018 | 46 | 2018 |
| Thermodynamic study on the corrosion mechanism of copper wire bonding Y Zeng, K Bai, H Jin Microelectronics Reliability 53 (7), 985-1001, 2013 | 41 | 2013 |
| Assessment of the Zn–Fe–Al system for kinetic study of galvanizing K Bai, P Wu Journal of alloys and Compounds 347 (1-2), 156-164, 2002 | 38 | 2002 |
| Thermodynamic assessment of the Zr–N system X Ma, C Li, K Bai, P Wu, W Zhang Journal of alloys and compounds 373 (1-2), 194-201, 2004 | 34 | 2004 |
| 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 | 33 | 2013 |
| Understanding non-parabolic solidification kinetics in Ni-based alloys during TLP bonding via thermo-kinetic modelling K Bai, FL Ng, TL Tan, T Li, D Pan Journal of Alloys and Compounds 699, 1084-1094, 2017 | 32 | 2017 |
| First-principles study of Sn and Ca doping in L Liu, K Bai, H Gong, P Wu Physical Review B 72 (12), 125204, 2005 | 31 | 2005 |
| High-throughput development and applications of the compositional mechanical property map of the β titanium alloys J Ling, D Huang, K Bai, W Li, Z Yu, W Chen Journal of Materials Science & Technology 71, 201-210, 2021 | 30 | 2021 |
| Density functional theory study of sulfur tolerance of copper: new copper–sulfur phase diagram OI Malyi, K Bai, VV Kulish, P Wu, Z Chen Chemical Physics Letters 533, 20-24, 2012 | 23 | 2012 |
| Realizing the semiconducting state of delafossite AgFeO2 by GGA+ U calculations KP Ong, K Bai, P Wu Journal of alloys and compounds 449 (1-2), 366-370, 2008 | 22 | 2008 |
| Role of Ti in the reversible dehydrogenation of Ti-doped sodium alanate K Bai, P Wu Applied physics letters 89 (20), 2006 | 20 | 2006 |
| First-Principles Study of Bipolar Dopability in the CuInO2 Transparent Semiconductor L Liu, Bai, H Gong, P Wu Chemistry of materials 17 (22), 5529-5537, 2005 | 19 | 2005 |
| Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale : An ab initio molecular dynamics study PS Branicio, K Bai, H Ramanarayan, DT Wu, MB Sullivan, DJ Srolovitz Physical Review Materials 2 (4), 043401, 2018 | 18 | 2018 |
