Bin Xu

North China University of Water Resources and Electric Power — China

Materials Science · Physical Sciences

18h-index1.1kcitations93works2.02yr avg
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Research Topics

MXene and MAX Phase Materials(17), 2D Materials and Applications(15), Quantum and electron transport phenomena(15), Graphene research and applications(13), Chalcogenide Semiconductor Thin Films(10)

Publications92 total

On-the-fly machine learning-assisted high accuracy second-principles model for BaTiO3
npj Computational Materials·2025Open Access
Prediction of electronic structure and magnetic properties of monolayer MoTeSe adsorbing transition metal elements
Journal of Applied Physics·2025· 1 citedOpen Access
Effect of strain on optical properties of Fe and Mn co-adsorbed monolayer SnSe<sub>2</sub>
Physica Scripta·2025
Magnetic properties of transition elements adsorbed B2S2 monolayers
Chemical Physics·2025· 1 cited
Theoretical study on the regulation of ScCl2 electrocatalytic activity through functionalization with H, O, and F
International Journal of Hydrogen Energy·2025
Tailoring the interaction between metal atoms and two-dimensional materials through surface functionalization
AIP Advances·2025· 1 citedOpen Access
Electronic, magnetic and optical properties of (Fe, Mn, Cr) co-doped Janus monolayer SnSSe
Journal of Physics and Chemistry of Solids·2024· 5 cited
Spin polarization in a collinear antiferromagnetic molecular wire predicted by first-principles calculations
Physica B Condensed Matter·2024· 1 cited
Prediction of magnetic properties of 3d transition-metal adsorbed InS monolayers
Journal of Magnetism and Magnetic Materials·2024· 3 cited
Electronic structure and magnetic properties of Fe and Mn co-adsorbed monolayer SnSe2
Physics Letters A·2024
First-principles calculations to investigate effect of strain on magnetic and optical properties of Mn-adsorbed SnSe2 monolayer
Chemical Physics·2024· 2 cited
First-principles study of magnetic properties and electronic structure of 3d transition-metal atom–adsorbed SnSSe monolayers
Physical Chemistry Chemical Physics·2024· 10 cited
On two-dimensional metal borides (MBenes) as anode materials for metal-ion batteries: A first-principles study
Computational Materials Science·2023· 24 cited
Electronic and optical properties of transition-metal (TM=Sc, Ni, Cu, Zn) adsorbed monolayer SnSe2
Micro and Nanostructures·2023· 2 cited
Gas sensing potential of monolayer MoB: A first principles study
Vacuum·2023· 26 cited
High-efficiency NP-carbon dots above 60% with both delayed fluorescence and room-temperature phosphorescence
Chemical Communications·2023· 6 cited
Magnetic properties and electronic structure of 3d transition-metal atom adsorbed two-dimensional SnSe2
Journal of Magnetism and Magnetic Materials·2022· 12 cited
Doping of the Mn vacancy of Mn<sub>2</sub>B<sub>2</sub> with a single different transition metal atom as the dual-function electrocatalyst
Physical Chemistry Chemical Physics·2022· 16 cited
Ab initio prediction of enhanced thermoelectric performance from bulk to monolayer Sb2S2Te
Materials Science and Engineering B·2021· 3 cited
Ab initio prediction of thermoelectric properties of monolayer ZrNCl and HfNCl
Journal of Solid State Chemistry·2020· 13 cited
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Frequent Co-authors

Yusheng Wang(17), Lin Yi(12), Nahong Song(8), Jing Zhang(7), Qiang Sun(5), K.L. Yao(5), Jian-Duo Lu(5), Yu Jia(4), Shanshan Ma(4), Hongwu Zhang(3), Chang-Ping Yu(3), Yafeng Zheng(3), Jifang Li(3), Fei Wang(3), Xinyu Li(3), Wei Zheng(3), Zebin Cai(3), Haiyan Gao(2), Jing Zhang(2), Yu Jia(2)