Xiaohu Yu

13PUBLICATIONS
26CO-AUTHORS
Metal cluster chemistryMicro- and nanosystemsCondensed matter modelling and density functional theoryApplied geophysicsRadiation and matter
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Publications (13)

|May 18, 2026
Theoretical study of electronic structures and chemical bonding in MOB- and MBO- (M = Sc-Zn) molecules.

|Apr 03, 2026
Semi-Magic Fe15-: A Magnetic Superatom with Unique Stability and Anisotropic Strong Ferromagnetism.

Shiquan Lin, Lijun Geng, Qiuying Du

|Aug 19, 2024
Energetic and Kinetic Competition on the Stability of Pd13 Clusters: Ab Initio Molecular Dynamics Simulations.

Haisheng Li, Xingju Zhao, Xiaoyan Ren

|Jan 29, 2024
First principles studies on the adsorption of rare base-pairs on the surface of B/N atom doped γ-graphyne.

Ruirui Li, Xia Zeng, Mengdan Lv

|Dec 26, 2023
Review of Theoretical and Computational Studies of Bulk and Single Atom Catalysts for H2 S Catalytic Conversion.

Yubin Liu, Yuqiong Li, Qi Yu

|Jul 13, 2023
A stable and strongly ferromagnetic Fe17O10- cluster with an accordion-like structure.

Lijun Geng, Xiaohu Yu, Zhixun Luo

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Frequent Collaborators

3 joint publications

Tianlei Zhang

2 joint publications

Jun Li

2 joint publications

Peixin Cui

2 joint publications

Changyan Cao