B. Sun

发表

Dissociation of (Li2O2)0,+ on graphene and boron-doped graphene: insights from first-principles calculations.

C. Ouyang, X. Lei, Shuying Zhong, 2020, Physical chemistry chemical physics : PCCP.

Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material.

Baozhen Sun, Kechen Wu, Zuju Ma, 2015, Physical chemistry chemical physics : PCCP.

Insights into the reaction mechanism of CO oxidative coupling to dimethyl oxalate over palladium: a combined DFT and IR study.

Baozhen Sun, Ruiping Chen, Kechen Wu, 2015, Physical chemistry chemical physics : PCCP.

Roles of oxygen vacancy in the adsorption properties of CO and NO on Cu2O(111) surface: Results of a first-principles study

Wenkai Chen, Baozhen Sun, Jin-De Zheng, 2008 .

Influence of CeO2 modification on the properties of Fe2O3–Ti0.5Sn0.5O2 catalyst for NO reduction by CO

F. Gao, B. Li, Bing Zhang, 2014 .

THE ROLE OF SURFACE OXYGEN VACANCY IN N2O DECOMPOSITION ON Cu2O(111) SURFACE: A DFT STUDY

Wenkai Chen, Baozhen Sun, Chun-Hai Lu, 2008 .

Bandgap tuning in MoSSe bilayers: synergistic effects of dipole moment and interlayer distance.

Shicheng Yu, C. Ouyang, Musheng Wu, 2018, Physical chemistry chemical physics : PCCP.

Reaction mechanism of CO oxidation on Cu(2)O(111): A density functional study.

Yi‐Jun Xu, Wenkai Chen, Baozhen Sun, 2010, The Journal of chemical physics.

Electronic and magnetic properties in nitrogen-doped 2D titanium carbides (MXenes): Insight from first-principles calculations

Wenjing Qin, Musheng Wu, Bo Xu, 2021, Solid State Communications.

Unlocking the Low-Temperature Potential of Propylene Carbonate to -30 °C via N-Methylpyrrolidone.

Ke Sun, Zhangquan Peng, Baozhen Sun, 2022, ACS applied materials & interfaces.

First-principles identification of spinel CaCo2O4 as a promising cathode material for Ca-ion batteries

C. Ouyang, Bo Xu, X. Lei, 2018, Solid State Ionics.

Flat-band splitting induced tunable magnetism in defective CrI3 monolayer

Wenjing Qin, Musheng Wu, Baozhen Sun, 2020 .

Coadsorption of CO and NO on the Cu(2)O(111) surface: A periodic density functional theory study.

Yi‐Jun Xu, Wenkai Chen, Baozhen Sun, 2009, The Journal of chemical physics.

Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material.

Kechen Wu, Zuju Ma, Chao He, 2015, Physical chemistry chemical physics : PCCP.

First-principles insights of hydrogen diffusion dynamics at the α-Al2O3 (0001) surface

C. Ouyang, X. Lei, Shuying Zhong, 2020 .

Adsorption of H2O, OH, and O on CuCl(111) Surface: A Density Functional Theory Study

Wenkai Chen, Baozhen Sun, Chun-Hai Lu, 2008 .

Strain-tunable molecular doping in germanane: a first-principles study

C. Ouyang, W. Luo, X. Lei, 2018, Nanotechnology.

Modulating electronic, magnetic and mechanical properties of MVN (M = Ti, V, Cr) MXenes by surface functionalization

Bo Xu, Siyu Li, Gang Liu, 2021 .

Robust Net Magnetic Moment in Janus V-Based Nitride MXenes: Insight from First-Principles Calculations

Siyu Li, Bo Xu, S. Liao, 2019, ACS omega.

O2 adsorption on MO2 (M=Ru, Ir, Sn) films supported on rutile TiO2(110) by DFT calculations: Probing the nature of metal oxide-support interaction.

Xianglan Xu, Baozhen Sun, Wenming Liu, 2016, Journal of colloid and interface science.

Theoretical insights into the reaction mechanisms of NO oxidation catalyzed by Cu2O(1 1 1)

Xianglan Xu, Wenkai Chen, Baozhen Sun, 2014 .

Systemic Analysis to Reveal the Improved Stability of LiNi0.6Co0.2Mn0.2O2 Electrode–Electrolyte Interface Modulated by N-Methylpyrrolidone

Jing Li, Zhangquan Peng, Baozhen Sun, 2023, Chinese Journal of Analytical Chemistry.