Surface faceting and elemental diffusion behaviour at atomic scale for alloy nanoparticles during in situ annealing M Chi, C Wang, Y Lei, G Wang, D Li, KL More, A Lupini, LF Allard, ... Nature communications 6 (1), 8925, 2015 | 192 | 2015 |
Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage X Shan, DS Charles, Y Lei, R Qiao, G Wang, W Yang, M Feygenson, D Su, ... Nature Communications 7, 13370, 2016 | 118 | 2016 |
Dislocation nucleation facilitated by atomic segregation L Zou, C Yang, Y Lei, D Zakharov, JMK Wiezorek, D Su, Q Yin, J Li, Z Liu, ... Nature materials 17 (1), 56-63, 2018 | 112 | 2018 |
Photocatalytic and degradation mechanisms of anatase TiO 2: a HRTEM study J Zhang, Y Zhang, Y Lei, C Pan Catalysis Science & Technology 1 (2), 273-278, 2011 | 111 | 2011 |
Molecular and electronic structures of transition-metal macrocyclic complexes as related to catalyzing oxygen reduction reactions: a density functional theory study H He, Y Lei, C Xiao, D Chu, R Chen, G Wang The Journal of Physical Chemistry C 116 (30), 16038-16046, 2012 | 110 | 2012 |
Formaldehyde on TiO 2 anatase (101): A DFT study H Liu, M Zhao, Y Lei, C Pan, W Xiao Computational Materials Science 51 (1), 389-395, 2012 | 72 | 2012 |
Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes K Liu, Y Lei, G Wang The Journal of chemical physics 139 (20), 204306, 2013 | 69 | 2013 |
First principles study of the size effect of TiO2 anatase nanoparticles in dye-sensitized solar cell Y Lei, H Liu, W Xiao Modelling and Simulation in Materials Science and Engineering 18 (2), 025004, 2010 | 52 | 2010 |
Mesoscale characterization of local property distributions in heterogeneous electrodes T Hsu, WK Epting, R Mahbub, NT Nuhfer, S Bhattacharya, Y Lei, ... Journal of Power Sources 386, 1-9, 2018 | 47 | 2018 |
First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques HZ Fang, SL Shang, Y Wang, ZK Liu, D Alfonso, DE Alman, YK Shin, ... Journal of Applied Physics 115 (4), 043501, 2014 | 47 | 2014 |
Density functional calculation of activation energies for lattice and grain boundary diffusion in alumina Y Lei, Y Gong, Z Duan, G Wang Physical Review B 87 (21), 214105, 2013 | 47 | 2013 |
Microstructural characterization and recrystallization kinetics modeling of annealing cold-rolled vanadium microalloyed HSLA steels Z Liu, RO Olivares, Y Lei, CI Garcia, G Wang Journal of Alloys and Compounds 679, 293-301, 2016 | 46 | 2016 |
Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes Y Lei, TL Cheng, YH Wen Journal of Power Sources 345, 275-289, 2017 | 43 | 2017 |
Charged vacancy diffusion in chromium oxide crystal: DFT and DFT+ U predictions C Gray, Y Lei, G Wang Journal of Applied Physics 120 (21), 215101, 2016 | 38 | 2016 |
Examination of solid-solution phase formation rules for high entropy alloys from atomistic Monte Carlo simulations Z Liu, Y Lei, C Gray, G Wang Jom 67, 2364-2374, 2015 | 28 | 2015 |
Phase field simulation of anode microstructure evolution of solid oxide fuel cell through Ni (OH) 2 diffusion Y Lei, TL Cheng, H Abernathy, W Epting, T Kalapos, G Hackett, Y Wen Journal of Power Sources 482, 228971, 2021 | 25 | 2021 |
Linking diffusion kinetics to defect electronic structure in metal oxides: Charge-dependent vacancy diffusion in alumina Y Lei, G Wang Scripta Materialia 101, 20-23, 2015 | 24 | 2015 |
First-principles computation of surface segregation in L10 CoPt magnetic nanoparticles Z Liu, Y Lei, G Wang Journal of Physics: Condensed Matter 28 (26), 266002, 2016 | 21 | 2016 |
Decoupling between Shockley partials and stacking faults strengthens multiprincipal element alloys Z Pei, S Zhang, Y Lei, F Zhang, M Chen Proceedings of the National Academy of Sciences 118 (51), e2114167118, 2021 | 18 | 2021 |
Oxygen adsorption on anatase surfaces and edges L Zhang, H Ji, Y Lei, W Xiao Applied Surface Science 257 (20), 8402-8408, 2011 | 18 | 2011 |