| Understanding CO2 Capture Mechanisms in Aqueous Monoethanolamine via First Principles Simulations B Han, C Zhou, J Wu, DJ Tempel, H Cheng The Journal of Physical Chemistry Letters 2 (6), 522-526, 2011 | 112 | 2011 |
| Density Functional Theory Study of Water Dissociative Chemisorption on the Fe3O4(111) Surface C Zhou, Q Zhang, L Chen, B Han, G Ni, J Wu, D Garg, H Cheng The Journal of Physical Chemistry C 114 (49), 21405-21410, 2010 | 68 | 2010 |
| On the Mechanisms of SiO2 Thin-Film Growth by the Full Atomic Layer Deposition Process Using Bis(t-butylamino)silane on the Hydroxylated SiO2(001) Surface B Han, Q Zhang, J Wu, B Han, EJ Karwacki, A Derecskei, M Xiao, X Lei, ... The Journal of Physical Chemistry C 116 (1), 947-952, 2012 | 63 | 2012 |
| Mechanistic Study on Water Gas Shift Reaction on the Fe3O4 (111) Reconstructed Surface L Huang, B Han, Q Zhang, M Fan, H Cheng The Journal of Physical Chemistry C 119 (52), 28934-28945, 2015 | 58 | 2015 |
| First-Principles Study of a Full Cycle of Atomic Layer Deposition of SiO2 Thin Films with Di(sec-butylamino)silane and Ozone L Huang, B Han, B Han, A Derecskei-Kovacs, M Xiao, X Lei, ML O’Neill, ... The Journal of Physical Chemistry C 117 (38), 19454-19463, 2013 | 47 | 2013 |
| Instability of Zinc Hexacyanoferrate Electrode in an Aqueous Environment: Redox‐Induced Phase Transition, Compound Dissolution, and Inhibition G Ni, B Han, Q Li, Z Ji, B Huang, C Zhou ChemElectroChem 3 (5), 798-804, 2016 | 40 | 2016 |
| On the CO2 Capture in Water-Free Monoethanolamine Solution: An ab Initio Molecular Dynamics Study B Han, Y Sun, M Fan, H Cheng The Journal of Physical Chemistry B 117 (19), 5971-5977, 2013 | 37 | 2013 |
| Density functional theory study on the full ALD process of silicon nitride thin film deposition via BDEAS or BTBAS and NH 3 L Huang, B Han, B Han, A Derecskei-Kovacs, M Xiao, X Lei, ML O'Neill, ... Physical Chemistry Chemical Physics 16 (34), 18501-18512, 2014 | 36 | 2014 |
| A first principles study of water dissociation on small copper clusters L Chen, Q Zhang, Y Zhang, WZ Li, B Han, C Zhou, J Wu, RC Forrey, ... Physical Chemistry Chemical Physics 12 (33), 9845-9851, 2010 | 32 | 2010 |
| Remarkable performance of magnetized chitosan-decorated lignocellulose fiber towards biosorptive removal of acidic azo colorant from aqueous environment CG Zhou, Q Gao, S Wang, YS Gong, KS Xia, B Han, M Li, Y Ling Reactive and Functional Polymers 100, 97-106, 2016 | 29 | 2016 |
| On the mechanisms of carbon formation reaction on Ni (111) surface Q Zhang, B Han, X Tang, K Heier, JX Li, J Hoffman, M Lin, SL Britton, ... The Journal of Physical Chemistry C 116 (31), 16522-16531, 2012 | 24 | 2012 |
| Influence of charge on the reactivity of supported heterogeneous transition metal catalysts L Huang, B Han, Y Xi, RC Forrey, H Cheng ACS Catalysis 5 (8), 4592-4597, 2015 | 20 | 2015 |
| First‐Principles Simulations of Conditions of Enhanced Adhesion Between Copper and TaN (111) Surfaces Using a Variety of Metallic Glue Materials B Han, J Wu, C Zhou, B Chen, R Gordon, X Lei, DA Roberts, H Cheng Angewandte Chemie International Edition 49 (1), 148-152, 2010 | 18 | 2010 |
| Density function theory study of copper agglomeration on the WN (001) surface J Wu, B Han, C Zhou, X Lei, TR Gaffney, JAT Norman, Z Li, R Gordon, ... The Journal of Physical Chemistry C 111 (26), 9403-9406, 2007 | 17 | 2007 |
| Ab initio molecular dynamics simulation on the aggregation of a Cu monolayer on a WN (001) surface B Han, J Wu, C Zhou, J Li, X Lei, JAT Norman, TR Gaffney, R Gordon, ... The Journal of Physical Chemistry C 112 (26), 9798-9802, 2008 | 14 | 2008 |
| First principles study of steam carbon reaction on γ-Fe (111) surface Q Zhang, B Han, K Heier, JX Li, J Hoffman, M Lin, A Derecskei-Kovacs, ... The Journal of Physical Chemistry C 115 (24), 12068-12076, 2011 | 10 | 2011 |
| Chemisorption of small fullerenes on the surface S Yao, C Zhou, B Han, T Fan, J Wu, L Chen, H Cheng Physical Review B—Condensed Matter and Materials Physics 79 (15), 155304, 2009 | 10 | 2009 |
| Effect of Al Electronic Configuration on the SiO2 Thin Film Growth via Catalytic Self-Assembling Deposition G Ni, B Han, H Cheng The Journal of Physical Chemistry C 117 (44), 22705-22713, 2013 | 7 | 2013 |
| Adsorption of fullerenes on the reconstructed surface C Zhou, J Wu, B Han, S Yao, H Cheng Physical Review B—Condensed Matter and Materials Physics 73 (19), 195324, 2006 | 7 | 2006 |
| Materials for adhesion enhancement of copper film on diffusion barriers H Cheng, X Lei, DP Spence, JAT Norman, DA Roberts, B Han, C Zhou, ... US Patent 7,919,409, 2011 | 3 | 2011 |
