Zhixue Tian

5PUBLICATIONS
9CO-AUTHORS
Theoretical quantum chemistryMain group metal chemistryStructural properties of condensed matterMetal organic frameworksCondensed matter modelling and density functional theory
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Publications (5)

|Sep 09, 2026
Curvature-induced reaction pathway switching of CO oxidation on Pt1/Pt2 anchored CeO2 nanotubes: a first-principles study.

|Dec 12, 2025
Orbital-level insights into multifunctional electrocatalysis of transition-metal single atoms anchored on WS2 monolayers.

Bingling He, Mingyang Ren, Qianyi Bu

|Oct 18, 2023
The effect of four-phonon interaction on phonon thermal conductivity of hexagonal VTe2 and puckered pentagonal VTe2.

Dan Jin, Pan Zhang, Zhixue Tian

|Jul 06, 2023
Two-dimensional ferromagnetic semiconductors of monolayer BiXO3 (X = Ru, Os) with direct band gaps, high Curie temperatures, and large magnetic anisotropy.

Hongbo Wu, Fengxian Ma, Zhixue Tian

|Feb 16, 2018
Density Functional Theory plus Hubbard U Study of the Segregation of Pt to the CeO2- x Grain Boundary.

Guoli Zhou, Pan Li, Qingmin Ma

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Frequent Collaborators

2 joint publications

Ying Liu

1 joint publications

Yalong Jiao

1 joint publications

Aijun Du

1 joint publications

Zhenhua Zhang