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