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
110 2011 Density Functional Theory Study of Water Dissociative Chemisorption on the Fe3 O4 (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 Fe3 O4 (111) Reconstructed Surface L Huang, B Han, Q Zhang, M Fan, H Cheng
The Journal of Physical Chemistry C 119 (52), 28934-28945, 2015
56 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 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 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
36 2016 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
33 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
28 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
19 2015 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 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
16 2010 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 S Yao, C Zhou, B Han, T Fan, J Wu, L Chen, H Cheng
Physical Review B 79 (15), 155304, 2009
10 2009 Chemisorption of small fullerenes C n (n= 28, 32, 36, 40, 44, 48, 60) on the Si (001)− c (2× 1) surface S Yao, C Zhou, B Han, T Fan, J Wu, L Chen, H Cheng
Physical Review B 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 C n (n= 32, 36, 40, 44, 48, 60) on the Ga As (001)− c (4× 4) reconstructed surface C Zhou, J Wu, B Han, S Yao, H Cheng
Physical Review B 73 (19), 195324, 2006
7 2006 