Shengguang Wang

发表

Virtual materials design using databases of calculated materials properties

Thomas Bligaard, Ture R. Munter, D D Landis, 2009 .

Producing triacetylglycerol with glycerol by two steps: Esterification and acetylation

Shengguang Wang, Xiao-Yuan Liao, Yulei Zhu, 2009 .

Theoretical elucidation of acetylating glycerol with acetic acid and acetic anhydride

Shengguang Wang, Xiao-Yuan Liao, Yulei Zhu, 2010 .

A detailed mechanism of thermal CO2 reforming of CH4

Shengguang Wang, Jia‐Xing Lu, H. Jiao, 2004 .

A first principle study on the magnetic properties of Cu2O surfaces

Shengguang Wang, Xuemei Zhang, G. Feng, 2015 .

Chemical and structural effects of silica in iron-based Fischer-Tropsch synthesis catalysts

Shengguang Wang, Yong Yang, Jian Xu, 2012 .

Hydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage

Tao Wang, Shengguang Wang, M. Beller, 2014 .

High coverage hydrogen adsorption on the Fe3O4(1 1 0) surface

Shengguang Wang, Xuemei Zhang, Xiaohu Yu, 2015 .

Adsorption Equilibria of CO Coverage on β-Mo2C Surfaces

Tao Wang, Shengguang Wang, Jianguo Wang, 2012 .

Stability of β-Mo2C Facets from ab Initio Atomistic Thermodynamics

Tao Wang, Shengguang Wang, Jianguo Wang, 2011 .

Electronic structures and energies of Fe2(CO)n (n=0-9).

Tao Wang, Shengguang Wang, Jianguo Wang, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

CO2 reforming of CH4 on Ni(111): a density functional theory calculation.

Shengguang Wang, Jianguo Wang, H. Jiao, 2006, The journal of physical chemistry. B.

Density functional theory study of CO adsorption on the (100), (001) and (010) surfaces of Fe3C

Shengguang Wang, Jianguo Wang, H. Jiao, 2007 .

A computational study on water adsorption on Cu2O(1 1 1) surfaces: The effects of coverage and oxygen defect

Shengguang Wang, Xuemei Zhang, G. Feng, 2015 .

Group Additivity for Estimating Thermochemical Properties of Furanic Compounds on Pd(111)

D. Vlachos, Shengguang Wang, V. Vorotnikov, 2014 .

Density functional theory study on water-gas-shift reaction over Molybdenum disulfide

Hui Wang, Shengguang Wang, Jianguo Wang, 2009 .

Reactivity of surface OH in CH4 reforming reactions on Ni(111): A density functional theory calculation

Shengguang Wang, Jianguo Wang, H. Jiao, 2009 .

Kinetic aspect of CO2 reforming of CH4 on Ni(111): A density functional theory calculation

Shengguang Wang, Jianguo Wang, H. Jiao, 2007 .

In silico search for novel methane steam reforming catalysts

J. Nørskov, T. Bligaard, F. Abild‐Pedersen, 2013 .

CH4 dissociation on Ni surfaces: Density functional theory study

Shengguang Wang, Jianguo Wang, H. Jiao, 2006 .

Chemisorption of oxygen and subsequent reactions on low index surfaces of β–Mo2C: Insights from first-principles thermodynamics and kinetics

Shengguang Wang, Jianguo Wang, Xue-Rong Shi, 2016 .

Theoretical studies on chemisorption of oxygen on β-Mo2C catalyst and its surface oxidation

Shengguang Wang, Jianguo Wang, Zhangfeng Qin, 2012 .

Chemisorption of CO2 on nickel surfaces.

Shengguang Wang, Jianguo Wang, H. Jiao, 2005, The journal of physical chemistry. B.

Factors Controlling the Interaction of CO2 with Transition Metal Surfaces

Shengguang Wang, Jianguo Wang, H. Jiao, 2007 .

A DFT study of furan hydrogenation and ring opening on Pd(111)

D. Vlachos, Shengguang Wang, V. Vorotnikov, 2014 .

Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111)

D. Vlachos, Shengguang Wang, V. Vorotnikov, 2015 .

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

J. Nørskov, T. Bligaard, F. Abild‐Pedersen, 2011 .

Single Gold Atom Adsorption on the Fe3O4(111) Surface

Shengguang Wang, Jianguo Wang, H. Jiao, 2012 .

Adsorption of Ni, Pd, Pt, Cu, Ag and Au on the Fe3O4(111) surface

Shengguang Wang, Xiaohu Yu, Xinxin Tian, 2014 .

Adsorptions of Ni8 cluster on the regular and defect sites of the MgO(001) surface

Shengguang Wang, H. Jiao, Yong-wang Li, 2004 .

Density functional theory calculations on oxygen adsorption on the Cu2O surfaces

Shengguang Wang, Xuemei Zhang, G. Feng, 2015 .

Energies and spin states of FeS(0/-), FeS2(0/-), Fe2S2(0/-), Fe3S4(0/-), and Fe4S4(0/-) clusters.

Tao Wang, Shengguang Wang, Jianguo Wang, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Adsorption of Aun (n = 1-4) clusters on Fe3O4(001) B-termination

Shengguang Wang, Xuemei Zhang, G. Feng, 2015 .

What is the product of ketene hydrogenation on Fe5C2(0 0 1): Oxygenates or hydrocarbons?

Shengguang Wang, Jianguo Wang, H. Jiao, 2007 .

Formation of oxygen vacancies on the TiO2(110) surfaces

Shengguang Wang, Jianguo Wang, H. Jiao, 2005 .

SO3H-functionalized ionic liquids as efficient catalysts for the synthesis of bioadditives

Shengguang Wang, Xiao-Yuan Liao, Yulei Zhu, 2012 .

The Synergy of Dilute Pd and Surface Oxygen Species for Methane Upgrading on Au 3 Pd(111)

Shengguang Wang, L. Grabow, H. Tran, 2020, Energy Technology.

Mechanistic Insights into Ethylene Transformations on Ir(111) by Density Functional Calculations and Microkinetic Modeling.

Hui Wang, Shengguang Wang, Jianguo Wang, 2017, Chemphyschem : a European journal of chemical physics and physical chemistry.

Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules

Jonathan E. Sutton, D. Vlachos, Shengguang Wang, 2014 .

Universal transition state scaling relations for (de)hydrogenation over transition metals.

J. Nørskov, T. Bligaard, F. Abild‐Pedersen, 2011, Physical chemistry chemical physics : PCCP.

Structure and stability of β-Mo2C bulk and surfaces: A density functional theory study

Hui Wang, Shengguang Wang, Jianguo Wang, 2009 .

The role of surface hydroxyls in the entropy-driven adsorption and spillover of H_2 on Au/TiO_2 catalysts

Shengguang Wang, L. Grabow, R. Rioux, 2023, Nature Catalysis.