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于

于晓华 (Xiaohua Yu)

kunming university of science and technology

29H-index
240Paper Count
3.5KCitation Count
Published Papers 112
Publication Date
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Transition metal-doped two-dimensional TCNE as efficient bifunctional ORR/OER electrocatalysts: a first principles systematic screening study
errPhysical Chemistry Chemical Physics
IF2.9
err2026-08-26
err0
PREAI
errXiaoyu Li; Yongzhi Wu; Xingkao Zhang; Xiaochen Xu; Xinlu Zhang; Xiaohua Yu Corresponding Author
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First-principles study of monolayer ZrS₂ as a high-capacity anode for Li-, Na-, and K-Ion batteries
errJournal of Solid State Electrochemistry
IF2.6
err2026-08-25
err0
PREAI
errXingkao Zhang; Jinlong Chen; Xiangjie Fu; Xiangyang Zhang; Haowen Wang; Xiaohua Yu; Ju Rong
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Perovskite-type PrFeO3/carbon hybrid bifunctional electrocatalysts for efficient rechargeable zinc–air batteries
errMaterials Science and Engineering B-Advanced Functional Solid-State Materials
IF4.6
err2026-08-22
err0
PREAI
errWandong Xu; Yue Zhang; Qingfeng Shen; Xiaohua Yu
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Ridge catalysis unlocking water oxidation activity of pentlandite
errNature Communications
IF15.7
err2026-07-04
err0
errOAAI
errLulu Zhang; Ju Rong; Yunxiang Lin; Yongqiang Yang; Xiaohua Yu; Dehui Deng; Hui-Ming Cheng; Gang Liu
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Systematic screening of transition metal dual-atom-doped phthalocyanine electrocatalysts for the oxygen reduction reaction
errPhys. Chem. Chem. Phys.
IF0
err2025-12-01
err0
PREAI
errXiaoyu Li; Yongzhi Wu; Qiuhe Li; Tingwei Ma; Xiaohua Yu; Guangyu Li
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Computational High-Throughput Screening of Transition-Metal C2N2 Electrocatalysts for Oxygen Reduction Reactions
errLangmuir
IF3.9
err2025-11-10
err0
PREAI
errLi Ma; Xiangjie Fu; Jueyi Ye; Hanqing Li; Keyuan Chen; Yongzhi Wu; Ju Rong; Xiaohua Yu; Zhaohua Liu
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Deep potential model-based study on the thermodynamic, kinetic, and mechanical properties of PtNi alloys
errChemical Engineering Science
IF4.3
err2025-10-14
err0
PREAI
errLi Ma; Xiaomei Duan; Keyuan Chen; Chengyi Hou; Hanqing Li; Jueyi Ye; Yongzhi Wu; Ju Rong; Xiaohua Yu; Yan Wei; Jing Feng
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Boosting and stabilizing oxygen evolution reaction through Ru single atoms anchored amorphous NiMoOx electrocatalyst
errNature Communications
IF15.7
err2025-10-03
err0
errOAAI
errJiayi Li; Yiming Zhu; Changyuan Li; Qian Zhang; Ju Rong; Shasha Guo; Nicolas Alonso-Vante; Long Yang; Min-Hsin Yeh; Wei-Hsiang Huang; Xiaohua Yu; Hongfei Cheng; Jiwei Ma
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Spontaneous dissociation of excitons in polymeric photocatalysts for overall water splitting
errNature Communications
IF15.7
err2025-09-29
err0
errOAAI
errKaitao Bai; Xiaohua Yu; Guanzhao Wen; Yongqiang Yang; Yunxiang Lin; Lulu Zhang; Ju Rong; Li-Chang Yin; Wei Qi; Mischa Bonn; Hai I. Wang; Gang Liu
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High-Speed and Stable Deep-Learning Predictions of Anodic Dissolution of Ti-6Al-4V and Ti-4Al-2V Alloys
errJOM
IF2.3
err2025-09-01
err0
PREAI
errZhao, Le; Ou, Peng; Ye, Jueyi; Rong, Ju; Yu, Xiaohua; Niu, Yutao; Ma, Li; Chen, Keyuan
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Multi-Step Screening-Guided Core-Shell RuO2@TaOx Nanorods Electrocatalyst for Acidic Oxygen Evolution Reaction
errAngewandte Chemie International Edition
IF0
err2025-08-21
err0
PREAI
errJiayi Li; Xiaohua Yu; Wei-Hsiang Huang; Qian Zhang; Kai Wei; Xiaoyan Zhou; Yiming Zhu; Xuepeng Zhong; Min-Hsin Yeh; Nicolas Alonso-Vante; Jiwei Ma
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Comprehensive screening of transition metal-C4N4 monolayers for optimized oxygen reduction catalysis
errSurfaces and Interfaces
IF6.3
err2025-08-07
err0
PREAI
errHanqing Li; Jinlong Chen; Jueyi Ye; Yongzhi Wu; Li Ma; Keyuan Chen; Ju Rong; Zhaohua Liu; Xiaohua Yu
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A new generation desalination membrane C2N with synergistic effects of adsorption and photoreduction
errDiamond and Related Materials
IF5.1
err2025-08-02
err0
PREAI
errJilun Wang; Ting Xu; Xiaohua Yu; Xin Lu; Li Ma; Ju Rong; Zhaohua Liu
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Faster efficacy and reduced nodule occurrence with PLLA (poly-l-lactic acid) porous microspheres
errFrontiers in Bioengineering and Biotechnology
IF4.8
err2025-07-29
err0
errOAAI
errQihua Cao†‡; Jiayu Chen‡; Zijun Zhang‡; Yufei Xiong; Jinxia Ma; Wei Sun; Xin Chen; Qilei Lou; Kaijia Tang; Feng Lin; Yueliang Zhu; Xiaohua Yu
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Development of a deep potential model for FePt alloys: DFT-level accuracy in high-temperature mechanical simulations
errMaterials Today Communications
IF4.5
err2025-07-24
err0
PREAI
errKeyuan Chen; Chenghui Lin; Hanqing Li; Chengyi Hou; Yongzhi Wu; Li Ma; Jueyi Ye; Ju Rong; Xiaohua Yu; Zhaohua Liu; Jing Feng
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High throughput screening of transition metal anchored C9N10 electrocatalysts for oxygen reduction
errDiamond and Related Materials
IF5.1
err2025-07-23
err0
PREAI
errYuwen Xue; Keyuan Chen; Defa Hou; Fulin Yang; Yi Lu; Can Liu; Xu Lin; Hui Gao; Xiaohua Yu; Zhifeng Zheng; Hao Sun; Yunwu Zheng
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Deep learning potential-driven study of multiscale structural and thermodynamic behaviors in PtTi alloys
errJournal of Physics and Chemistry of Solids
IF4.9
err2025-07-22
err0
PREAI
errHanqing Li; Cheng Cheng; Keyuan Chen; Chengyi Hou; Li Ma; Jueyi Ye; Yongzhi Wu; Ju Rong; Xiaohua Yu; Yan Wei; Jing Feng
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Theoretical prediction of high thermoelectric performance in hydrogenated graphenylene
errVacuum
IF3.9
err2025-07-15
err0
PREAI
errHanqing Li; Cheng Cheng; Jueyi Ye; Yongzhi Wu; Li Ma; Keyuan Chen; Ju Rong; Lan Yu; Xiaohua Yu
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High-throughput DFT screening of transition metal-graphyne single-atom catalysts for oxygen reduction reaction
errMaterials Today Communications
IF4.5
err2025-07-01
err0
PREAI
errJueyi Ye; Zhijie He; Li Ma; Keyuan Chen; Yongzhi Wu; Hanqing Li; Ju Rong; Zhaohua Liu; Xiaohua Yu
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A new generation of functional desalted carbon and nitrogen membrane with photocatalytic and adsorption properties
errComputational Materials Science
IF3.3
err2025-06-04
err0
PREAI
errTing Xu; Jilun Wang; Xiaohua Yu; Yutao Niu; Hanqing Li; Yongzhi Wu; Ma Li; Ju Rong
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Research Directions

纳米晶体材料热力学和电化学热力学与动力学理论模型研究新型二维材料电池材料电催化材料和热电材料的第一性原理和分子动力学综合设计基于大数据技术的机器学习和材料基因组设计新型能源材料的制备与表面修饰技术
Co-authors
Cooperation Journals
成会明 cover
成会明 (Hui–Ming Cheng)
H-index: 196 · Papers: 1.4K
X
Xueliang Sun
H-index: 153 · Papers: 1.0K
D
Dong Su
H-index: 135 · Papers: 813
刘
刘刚 (Gang Liu)
H-index: 115 · Papers: 844
M
Mischa Bonn
H-index: 103 · Papers: 893
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