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51

A First-Principles Study of Carbon-Oxygen Bond Scission in Multiatomic Molecules on Flat and Stepped Metal Surfaces

Zhao, Yong-Hui, Liu, Jin-Xun, Su, Hai-Yan, Sun, Keju, Li, Wei-Xue

Journal:

Year:

2014

Language:

english

File:

PDF, 1.07 MB

english, 2014

52

Following Molecules through Reactive Networks: Surface Catalyzed Decomposition of Methanol on Pd(111), Pt(111), and Ni(111)

Kramer, Zeb C., Gu, Xiang-Kui, Zhou, Dingyu D. Y., Li, Wei-Xue, Skodje, Rex T.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.06 MB

english, 2014

53

Adsorbed CO induced change of the adsorption site and charge of Au adatoms on FeO(111)/Ru(0001)

Ouyang, Runhai, Li, Wei-Xue

Journal:

Chinese Journal of Catalysis

Year:

2013

Language:

english

File:

PDF, 763 KB

english, 2013

54

First-principles study of water activation on Cu-ZnO catalysts

Yao, Kun, Wang, Sha-Sha, Gu, Xiang-Kui, Su, Hai-Yan, Li, Wei-Xue

Journal:

Chinese Journal of Catalysis

Year:

2013

Language:

english

File:

PDF, 1.32 MB

english, 2013

55

Single Pd Atom Embedded in CeO 2 (111) for NO Reduction with CO: A First-Principles Study

Ding, Wu-Chen, Gu, Xiang-Kui, Su, Hai-Yan, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 3.05 MB

english, 2014

56

First-Principles Study on the Origin of the Different Selectivities for Methanol Steam Reforming on Cu(111) and Pd(111)

Gu, Xiang-Kui, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 2.61 MB

english, 2010

57

Framework Fe Ions in Fe-ZSM-5 Zeolite Studied by UV Resonance Raman Spectroscopy and Density Functional Theory Calculations

Sun, Keju, Fan, Fengtao, Xia, Haian, Feng, Zhaochi, Li, Wei-Xue, Li, Can

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 309 KB

english, 2008

58

Theoretical Study of the Role of a Metal–Cation Ensemble at the Oxide–Metal Boundary on CO Oxidation

Sun, Dapeng, Gu, Xiang-Kui, Ouyang, Runhai, Su, Hai-Yan, Fu, Qiang, Bao, Xinhe, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.98 MB

english, 2012

59

Oxidation of platinum surfaces and reaction with carbon monoxide

Journal:

Journal of Physics Condensed Matter

Year:

2008

Language:

english

File:

PDF, 1.09 MB

english, 2008

60

First-Principles Investigation of Surface and Subsurface H Adsorption on Ir(111)

Zhang, Hong, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.02 MB

english, 2009

61

Rh-Decorated Cu Alloy Catalyst for Improved C 2 Oxygenate Formation from Syngas

Zhao, Yong-Hui, Yang, Ming-Mei, Sun, Dapeng, Su, Hai-Yan, Sun, Keju, Ma, Xiufang, Bao, Xinhe, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 3.39 MB

english, 2011

62

Supported Single Pt 1 /Au 1 Atoms for Methanol Steam Reforming

Gu, Xiang-Kui, Qiao, Botao, Huang, Chuan-Qi, Ding, Wu-Chen, Sun, Keju, Zhan, Ensheng, Zhang, Tao, Liu, Jingyue, Li, Wei-Xue

Journal:

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

63

First-Principles Study of Carbon Monoxide Oxidation on Ag(111) in Presence of Subsurface Oxygen and Stepped Ag(221)

Su, Hai-Yan, Zeng, Zhenhua, Bao, Xin-He, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 2.76 MB

english, 2009

64

Density functional theory and ab initio molecular dynamics study of NO adsorption on Pd(111) and Pt(111) surfaces

Zeng, Zhen-Hua, Da Silva, Juarez L. F., Li, Wei-Xue

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 681 KB

english, 2010

65

Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics

Li, Wei-Xue, Stampfl, Catherine, Scheffler, Matthias

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 652 KB

english, 2003

66

Crystal-Plane-Controlled Selectivity of Cu 2 O Catalysts in Propylene Oxidation with Molecular Oxygen

Hua, Qing, Cao, Tian, Gu, Xiang-Kui, Lu, Jiqing, Jiang, Zhiquan, Pan, Xiaorong, Luo, Liangfeng, Li, Wei-Xue, Huang, Weixin

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

67

Subsurface oxygen and surface oxide formation at Ag(111): A density-functional theory investigation

Li, Wei-Xue, Stampfl, Catherine, Scheffler, Matthias

Journal:

Physical Review B

Year:

2003

Language:

english

File:

PDF, 717 KB

english, 2003

68

clusters on FeO/Pt(111)

Ouyang, Runhai, Li, Wei-Xue

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 696 KB

english, 2011

69

: Application to electrochemistry

Li, Guo-Ling, Li, Wei-Xue, Li, Can

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 295 KB

english, 2010

70

Wavevector-dependent quantum-size effect in electron decay length at Pb thin film surfaces

Liu, Xin, Zhang, S. B., Ma, X. C., Jia, Jin-Feng, Xue, Qi-Kun, Bao, Xin-He, Li, Wei-Xue

Journal:

Applied Physics Letters

Year:

2008

Language:

english

File:

PDF, 456 KB

english, 2008

71

Density functional theory study of the energetics, electronic structure, and core-level shifts of NO adsorption on the Pt(111) surface

Zeng, Zhen-Hua, Da Silva, Juarez L. F., Deng, Hui-Qiu, Li, Wei-Xue

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 481 KB

english, 2009

72

Theory of nitride oxide adsorption on transition metal (111) surfaces: a first-principles investigation

Zeng, Zhen-Hua, Da Silva, Juarez L. F., Li, Wei-Xue

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.85 MB

english, 2010

73

[IEEE 2011 5th International Conference on Bioinformatics and Biomedical Engineering (iCBBE) - Wuhan, China (2011.05.10-2011.05.12)] 2011 5th International Conference on Bioinformatics and Biomedical Engineering - Effects of Different Water-Saving Measures on Soil Water-Salt Environment of Arid Area of China

Zhao, Li-rong, Huang, Jiesheng, Wu, Jing-wei, Jia, Wei-xu, Qiu, Yuan-feng, Wu, Yu

Year:

2011

Language:

english

File:

PDF, 314 KB

english, 2011

74

High Alcohols Synthesis via Fischer–Tropsch Reaction at Cobalt Metal/Carbide Interface

Pei, Yan-Peng, Liu, Jin-Xun, Zhao, Yong-Hui, Ding, Yun-Jie, Liu, Tao, Dong, Wen-Da, Zhu, He-Jun, Su, Hai-Yan, Yan, Li, Li, Jin-Lin, Li, Wei-Xue

Journal:

Year:

2015

Language:

english

File:

PDF, 5.27 MB

english, 2015

75

Patchy alopecia areata sparing gray hairs: a case series

Jia, Wei-Xue, Mao, Qiu-Xia, Xiao, Xue-Min, Li, Zhi-Liang, Yu, Rui-Xing, Li, Cheng-Rang

Journal:

Advances in Dermatology and Allergology

Year:

2014

Language:

english

File:

PDF, 190 KB

english, 2014

76

Letter to the Editor Severe Darier’s disease patient with mutation of ATP2A2

Li, Cheng-Rang, Zhang, Yu, Jia, Wei-Xue, Xiao, Xue-Min, Gu, Ning-Yan, Sheng, Nan, Mao, Qiu-Xia, Yao, Xu

Journal:

Advances in Dermatology and Allergology

Year:

2014

Language:

english

File:

PDF, 205 KB

english, 2014

77

Direct Imaging Single Methanol Molecule Photocatalysis on Titania

Wei, Dong, Jin, Xianchi, Huang, Chuanqi, Dai, Dongxu, Ma, Zhibo, Li, Wei-Xue, Yang, Xueming

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.85 MB

english, 2015

78

Robust Phase Control through Hetero-Seeded Epitaxial Growth for Face-Centered Cubic Pt@Ru Nanotetrahedrons with Superior Hydrogen Electro-Oxidation Activity

Gu, Jun, Guo, Yu, Jiang, Ying-Ying, Zhu, Wei, Xu, Yan-Shuang, Zhao, Ze-Qiong, Liu, Jin-Xun, Li, Wei-Xue, Jin, Chuan-Hong, Yan, Chun-Hua, Zhang, Ya-Wen

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 3.06 MB

english, 2015

79

Density functional theory study of CH[sub x] (x=1–3) adsorption on clean and CO precovered Rh(111) surfaces

Yang, Ming-Mei, Bao, Xin-He, Li, Wei-Xue

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 520 KB

english, 2007

80

Band structure and Fermi surface of atomically uniform lead films

He, Shaolong, Zeng, Zhenhua, Arita, Masashi, Sawada, Masahiro, Shimada, Kenya, Qiao, Shan, Li, Guoling, Li, Wei-Xue, Zhang, Yan-Feng, Zhang, Yi, Ma, Xucun, Jia, Jinfeng, Xue, Qi-Kun, Namatame, Hirofum

Journal:

New Journal of Physics

Year:

2010

Language:

english

File:

PDF, 1.48 MB

english, 2010

81

[IEEE 2009 International Conference on Machine Learning and Cybernetics (ICMLC) - Baoding, China (2009.07.12-2009.07.15)] 2009 International Conference on Machine Learning and Cybernetics - Research of tax inspection cases-choice based on association rules in data mining

Qing-Xiang Zhu,, Li-Juan Guo,, Jing Liu,, Nan Xu,, Wei-Xu Li,

Year:

2009

Language:

english

File:

PDF, 165 KB

english, 2009

82

Relationship Between Lamellar Structure and Elastic Modulus of Thermally Sprayed Thermal Barrier Coatings with Intra-splat Cracks

Li, Guang-Rong, Lv, Bo-Wen, Yang, Guan-Jun, Zhang, Wei-Xu, Li, Cheng-Xin, Li, Chang-Jiu

Journal:

Journal of Thermal Spray Technology

Year:

2015

Language:

english

File:

PDF, 3.31 MB

english, 2015

83

Theoretical study of crystal phase effect in heterogeneous catalysis

Liu, Jin-Xun, Li, Wei-Xue

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2016

Language:

english

File:

PDF, 1.63 MB

english, 2016

84

CO Dissociation on Face Centered-Cubic and Hexagonal Close-Packed Nickel Catalysts: A First-Principles Study

Liu, Jin-Xun, Zhang, Bing-Yan, Chen, Peipei, Su, Hai-Yan, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 910 KB

english, 2016

85

Establishing and Understanding Adsorption–Energy Scaling Relations with Negative Slopes

Su, Hai-Yan, Sun, Keju, Wang, Wei-Qi, Zeng, Zhenhua, Calle-Vallejo, Federico, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.41 MB

english, 2016

86

[IEEE 2016 International Joint Conference on Neural Networks (IJCNN) - Vancouver, BC, Canada (2016.7.24-2016.7.29)] 2016 International Joint Conference on Neural Networks (IJCNN) - A recursive method for big network influence estimation

Lu, Wei-Xue, Zhou, Chuan, Wu, Jia, Liu, Chun-Yi, Gao, Li, Hu, Yue

Year:

2016

Language:

english

File:

PDF, 202 KB

english, 2016

87

Carbon induced selective regulation of cobalt-based Fischer–Tropsch catalysts by ethylene treatment

Zhai, Peng, Chen, Pei-Pei, Xie, Jinglin, Liu, Jin-Xun, Zhao, Huabo, Lin, Lili, Zhao, Bo, Su, Hai-Yan, Zhu, Qingjun, Li, Wei-Xue, Ma, Ding

Journal:

Faraday Discussions

Year:

2017

Language:

english

File:

PDF, 2.12 MB

english, 2017

88

Chemical Insights into the Design and Development of Face-Centered Cubic Ruthenium Catalysts for Fischer–Tropsch Synthesis

Li, Wei-Zhen, Liu, Jin-Xun, Gu, Jun, Zhou, Wu, Yao, Si-Yu, Si, Rui, Guo, Yu, Su, Hai-Yan, Yan, Chun-Hua, Li, Wei-Xue, Zhang, Ya-Wen, Ma, Ding

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 3.80 MB

english, 2017

89

Modulating the reactivity of Ni-containing Pt(111)-skin catalysts by density functional theory calculations

Su, Hai-Yan, Bao, Xin-He, Li, Wei-Xue

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 376 KB

english, 2008

90

A non- ω -balanced paratopological group with countable π -character

Sheng, Li-Hong, Shi, Wei-Xue

Journal:

Topology and its Applications

Year:

2017

Language:

english

File:

PDF, 228 KB

english, 2017

91

[WORLD SCIENTIFIC Proceedings of the 6th International Conference on ICAMP - Yunnan, P R China (19 – 23 July 2010)] Advanced Materials and Processing 2010 - A SHEAR-LAG MODEL FOR CARBON NANOTUBE-REINFORCED MAGNESIUM MATRIX COMPOSITES

LI, WEI-XUE, ZHU, JIE, HAO, YUAN, DAI, JIAN-FENG, WANG, QING

Language:

english

File:

PDF, 3.53 MB

english

92

Phase Selective Synthesis of Unique Cobalt Telluride Nanofleeces for Highly Efficient Oxygen Evolution Catalyst

Gao, Qiang, Huang, Chuan-Qi, Ju, Yi-Ming, Gao, Min-Rui, Liu, Jian-Wei, An, Duo, Cui, Chun-Hua, Zheng, Ya-Rong, Li, Wei-Xue, Yu, Shu-Hong

Journal:

Angewandte Chemie

Year:

2017

Language:

english

File:

PDF, 1.15 MB

english, 2017

93

First-principles study of structure sensitivity of chain growth and selectivity in Fischer–Tropsch synthesis using HCP cobalt catalysts

Su, Hai-Yan, Zhao, Yonghui, Liu, Jin-Xun, Sun, Keju, Li, Wei-Xue

Journal:

Catalysis Science & Technology

Year:

2017

Language:

english

File:

PDF, 6.41 MB

english, 2017

94

Correction: First-principles study of single transition metal atoms on ZnO for the water gas shift reaction

Gu, Xiang-Kui, Huang, Chuan-Qi, Li, Wei-Xue

Journal:

Catalysis Science & Technology

Year:

2017

Language:

english

File:

PDF, 116 KB

english, 2017

95

The most active Cu facet for low-temperature water gas shift reaction

Zhang, Zhenhua, Wang, Sha-Sha, Song, Rui, Cao, Tian, Luo, Liangfeng, Chen, Xuanye, Gao, Yuxian, Lu, Jiqing, Li, Wei-Xue, Huang, Weixin

Journal:

Nature Communications

Year:

2017

Language:

english

File:

PDF, 1.90 MB

english, 2017

96

Differentiating Intrinsic Reactivity of Copper, Copper-Zinc Alloy and Copper/Zinc Oxide Interface for Methanol Steam Reforming by First-Principles Theory

Wang, Sha-Sha, Su, Hai-Yan, Gu, Xiang-Kui, Li, Wei-Xue

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.69 MB

english, 2017

97

Early detection of dynamic harmful cascades in large-scale networks

Zhou, Chuan, Lu, Wei-Xue, Zhang, Jingzun, Li, Lei, Hu, Yue, Guo, Li

Journal:

Journal of Computational Science

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

98

Influence of nickel(II) oxide surface magnetism on molecule adsorption: A first-principles study

Huang, Chuan-Qi, Li, Wei-Xue

Journal:

Chinese Journal of Catalysis

Year:

2017

Language:

english

File:

PDF, 5.61 MB

english, 2017

99

Theoretical Investigation of Metal Support Interaction on Ripening Kinetics of Supported Particles

Hu, Sulei, Li, Wei-Xue

Journal:

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

100

Influence of Particle Size Distribution on Life Time and Thermal Stability of Ostwald Ripening of Supported Particles

Hu, Sulei, Li, Wei-Xue

Journal:

Year:

2018

Language:

english

File:

PDF, 4.13 MB

english, 2018