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ResearcherID: F-4844-2012
SciProfiles: 494292

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Employment (1)

Tsinghua University: Beijing, Beijing, CN

2005-12-01 to present | Professor (Department of Chemical Engineering)
Employment
Source: Self-asserted source
Yang-Xin Yu

Education and qualifications (3)

Tsinghua University: Beijing, Beijing, CN

2003-12-01 to 2005-01-15 | PhD. (Department of Chemical Engineering)
Education
Source: Self-asserted source
Yang-Xin Yu

Tsinghua University: Beijing, Beijing, CN

1988-09-01 to 1991-04-01 | B. S. (Deparment of Chemical engineering)
Education
Source: Self-asserted source
Yang-Xin Yu

Tsinghua University: Beijing, Beijing, CN

1983-09-01 to 1988-07-15 | M.S. (Department of Chemical Engineering)
Education
Source: Self-asserted source
Yang-Xin Yu

Works (50 of 121)

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Page 1 of 3

SDBS/SDSN-assisted alkaline dissolution-conversion of ε-Zn(OH)2 strategy for efficient synthesis of 1D ZnO with enhanced mechanical property

Applied Surface Science
2025-05 | Journal article
DOI: 10.1016/j.apsusc.2025.162608
Contributors: Shuyu Lin; Zhi-Hai Wu; Yuxin Yang; Renjie Chen; Lan Xiang; Yang-Xin Yu
Source: check_circle
Crossref

Electrochemical reduction of cyanide on conjugated copper-organic framework Cu3(HHTP)2 monolayer: A dispersion-corrected DFT investigation

International Journal of Hydrogen Energy
2025-03 | Journal article
DOI: 10.1016/j.ijhydene.2024.04.265
Contributors: Rongwei Shi; Yang-Xin Yu; Andrey N. Chibisov
Source: check_circle
Crossref

Theoretical insights into surface-phase transition and ion competition during alkali ion intercalation on the Cu4Se4 nanosheet

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D3CP05423C
Contributors: Yang-Xin Yu
Source: check_circle
Crossref

Regulating the Electrochemical Performance of A2Ni2TeO6 (A = Na, K) as a Cathode of Alkali Metal Ion Battery by 3d Transition Metal Substitution from a Theoretical Perspective

ACS Applied Energy Materials
2024-10-14 | Journal article
DOI: 10.1021/acsaem.4c01667
Contributors: Zhi-Hai Wu; Yang-Xin Yu
Source: check_circle
Crossref

Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations

Nanomaterials
2023-12-03 | Journal article
DOI: 10.3390/nano13233070
Contributors: Andrey N. Chibisov; Mary A. Chibisova; Anastasiia V. Prokhorenko; Kirill V. Obrazcov; Aleksandr S. Fedorov; Yang-Xin Yu
Source: check_circle
Crossref
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Preferred source (of 2)‎

Density functional theory investigation on fast storage of sodium and potassium in Ni2TeO6 as a novel promising cathode material

Materials Today Energy
2023-10 | Journal article
DOI: 10.1016/j.mtener.2023.101414
Contributors: Zhi-Hai Wu; Yang-Xin Yu; Andrey N. Chibisov
Source: check_circle
Crossref

Sodium/Potassium Intercalation on the Cu4S4 Nanosheet Accompanied by a Surface Phase Transition and Their Competition with Protons

ACS Applied Energy Materials
2023-10-09 | Journal article
DOI: 10.1021/acsaem.3c01623
Contributors: Yang-Xin Yu
Source: check_circle
Crossref

Efficient electrocatalysts refined from metal-dimer-anchored PC6 monolayers for NO reduction to ammonia

International Journal of Hydrogen Energy
2023-02 | Journal article
DOI: 10.1016/j.ijhydene.2022.11.180
Contributors: Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

Highly Dispersive Palladium Loading on ZnO by Galvanic Replacements with Improved Methane Sensing Performance

Chemosensors
2022-08-12 | Journal article
DOI: 10.3390/chemosensors10080329
Contributors: Renjie Chen; Shirui Luo; Dan Xie; Yangxin Yu; Lan Xiang
Source: check_circle
Crossref
grade
Preferred source (of 2)‎

Multi-level Descriptor Construction for Screening Eligible Single-Atom-Embedded Ternary B3C2P3 Monolayers as Nitrogen Fixation Catalysts

The Journal of Physical Chemistry C
2022-08-04 | Journal article
DOI: 10.1021/acs.jpcc.2c02876
Contributors: Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

Enhanced catalytic performance of pillared δ-MnO2 with enlarged layer spaces for lithium– and sodium–oxygen batteries: a theoretical investigation

Nanoscale
2021 | Journal article
DOI: 10.1039/D1NR07407E
Contributors: Jia-Hui Li; Yang-Xin Yu
Source: check_circle
Crossref

Highly selective electroreduction of nitrate to ammonia on a Ru-doped tetragonal Co2P monolayer with low-limiting overpotential

Catalysis Science & Technology
2021 | Journal article
DOI: 10.1039/D1CY01217G
Contributors: Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

Highly stable Mo-doped Fe2P and Fe3P monolayers as low-onset-potential electrocatalysts for nitrogen fixation

Catalysis Science & Technology
2021 | Journal article
DOI: 10.1039/D0CY02192J
Contributors: Jie Wu; Jia-Hui Li; Yang-Xin Yu
Source: check_circle
Crossref

Singlet oxygen vs. triplet oxygen: functions of 2D-MoO3 catalysts in conquering catastrophic parasitic-reactions in lithium– and sodium–oxygen batteries

Journal of Materials Chemistry A
2021 | Journal article
DOI: 10.1039/D1TA00699A
Contributors: Jia-Hui Li; Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

How Do Oxygen Vacancies Influence the Catalytic Performance of Two‐Dimensional Nb2O5 in Lithium‐ and Sodium‐Oxygen Batteries?

ChemSusChem
2021-12-17 | Journal article
DOI: 10.1002/cssc.202101691
Contributors: Jia‐Hui Li; Yang‐Xin Yu
Source: check_circle
Crossref

Electric-Field Controllable Metal-free Materials as Efficient Electrocatalysts for Nitrogen Fixation

The Journal of Physical Chemistry C
2021-11-04 | Journal article
DOI: 10.1021/acs.jpcc.1c06464
Contributors: Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

Comparison of CP-PC-SAFT and PC-SAFT with k12 = 0 and PPR78 in Predicting Binary Systems of Hydrocarbons with Squalane, n-dodecylbenzene, cis-decalin, Tetralin, and Naphthalene at High Pressures

Industrial & Engineering Chemistry Research
2021-11-03 | Journal article
DOI: 10.1021/acs.iecr.1c03486
Contributors: Asaf Chiko; Ilya Polishuk
Source: check_circle
Crossref

High storage capacity and small volume change of potassium-intercalation into novel vanadium oxychalcogenide monolayers V2S2O, V2Se2O and V2Te2O: An ab initio DFT investigation

Applied Surface Science
2021-04 | Journal article
DOI: 10.1016/j.apsusc.2021.149062
Contributors: Yang-Xin Yu
Source: check_circle
Crossref

Theoretical Exploration of Electrochemical Nitrate Reduction Reaction Activities on Transition-Metal-Doped h-BP

The Journal of Physical Chemistry Letters
2021-04-29 | Journal article
DOI: 10.1021/acs.jpclett.1c00855
Contributors: Jie Wu; Jia-Hui Li; Yang-Xin Yu
Source: check_circle
Crossref

Single Nb or W Atom-Embedded BP Monolayers as Highly Selective and Stable Electrocatalysts for Nitrogen Fixation with Low-Onset Potentials

ACS Applied Materials & Interfaces
2021-03-03 | Journal article
DOI: 10.1021/acsami.0c21429
Contributors: Jie Wu; Jia-Hui Li; Yang-Xin Yu
Source: check_circle
Crossref

Toward Large-Capacity and High-Stability Lithium Storages via Constructing Quinone–2D-MnO2-Pillared Structures

The Journal of Physical Chemistry C
2021-02-25 | Journal article
DOI: 10.1021/acs.jpcc.0c10211
Contributors: Jia-Hui Li; Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/D0CP00224K
Contributors: Jie Wu; Jia-Hui Li; Yang-Xin Yu
Source: check_circle
Crossref

A Theoretical Analysis on the Oxidation and Water Dissociation Resistance on Group‐IV Phosphide Monolayers

ChemPhysChem
2020-11-17 | Journal article
DOI: 10.1002/cphc.202000766
Contributors: Jie Wu; Jia‐Hui Li; Yang‐Xin Yu
Source: check_circle
Crossref

Theoretical Exploration of Single-Layer Tl2O as a Catalyst in Lithium–Oxygen Battery Cathodes

The Journal of Physical Chemistry C
2020-04-30 | Journal article
DOI: 10.1021/acs.jpcc.9b09665
Contributors: Jia-Hui Li; Jie Wu; Yang-Xin Yu
Source: check_circle
Crossref

Effect of Defects and Solvents on Silicene Cathode of Nonaqueous Lithium–Oxygen Batteries: A Theoretical Investigation

The Journal of Physical Chemistry C
2019-01-10 | Journal article
DOI: 10.1021/acs.jpcc.8b10367
Contributors: Yang-Xin Yu
Source: check_circle
Crossref

Adsorptive removal of Cr3+, Cu2+, and Ni2+ ions by magnetic Fe3O4@alkali-treated coal fly ash

Desalination and Water Treatment
2018 | Journal article
DOI: 10.5004/dwt.2018.22778
WOSUID:

WOS:000446591300030
Contributors: Zhang, Ya-Na; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Excellent Infrared Nonlinear Optical Crystals BaMO(IO3)(5) (M = V, Ta) Predicted by First Principle Calculations

Materials
2018 | Journal article
DOI: 10.3390/ma11101809
WOSUID:

WOS:000448658400023
Contributors: Li, Yingfeng; Cui, Mengqi; Yan, Hejin; Yu, Yangxin; Li, Meicheng; Li, Xiang; Chu, Lihua; Jiang, Bing; Qin, Mingde
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Efficient and Reversible Electron Doping of Semiconductor-Enriched Single-Walled Carbon Nanotubes by Using Decamethylcobaltocene

Scientific Reports
2017 | Journal article
DOI: 10.1038/s41598-017-05967-w
WOSUID:

WOS:000406610000002
Contributors: Xu, Jian-Long; Dai, Rui-Xuan; Xin, Yan; Sun, Yi-Lin; Li, Xian; Yu, Yang-Xin; Xiang, Lan; Xie, Dan; Wang, Sui-Dong; Ren, Tian-Ling
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Molecular dynamics simulations of stability at the early stages of silica materials preparation

Journal of Molecular Structure
2017 | Journal article
DOI: 10.1016/j.molstruc.2017.03.021
WOSUID:

WOS:000399517500025
Contributors: Gholizadeh, Reza; Wang, Yujun; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

N2O adsorption and decomposition over ZnO(0001) doped graphene: Density functional theory calculations

Applied Surface Science
2017 | Journal article
DOI: 10.1016/j.apsusc.2017.05.235
WOSUID:

WOS:000407222300111
Contributors: Gholizadeh, Reza; Yu, Yang-Xin; Wang, Yujun
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Possibility of bare and functionalized niobium carbide MXenes for electrode materials of supercapacitors and field emitters

Materials & Design
2017 | Journal article
DOI: 10.1016/j.matdes.2017.05.052
WOSUID:

WOS:000405984600053
Contributors: Xin, Yan; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Density functional theory study on ion adsorption and electroosmotic flow in a membrane with charged cylindrical pores

Molecular Physics
2016 | Journal article
DOI: 10.1080/00268976.2015.1090637
WOSUID:

WOS:000383597400002
Contributors: Xin, Yan; Zheng, Yuan-Xiang; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Determination of Solubility of Sodium Salts in Aqueous Surfactant and STPP Solutions Using an Ion Selective Electrode

Journal of Chemical and Engineering Data
2016 | Journal article
DOI: 10.1021/acs.jced.5b00926
WOSUID:

WOS:000379988600007
Contributors: Wang, Xin; Zhang, Ya-Na; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Measurements of the Viscosity and Thermal Conductivity of a Gas at Definitive Thermodynamic States

Acta Physico-Chimica Sinica
2016 | Journal article
DOI: 10.3866/PKU.WHXB201602195
WOSUID:

WOS:000376834100007
Contributors: An Bao-Lin; Yang Fu-Fang; Yang Zhen; Duan Yuan-Yuan; Yu Yang-Xing
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Prediction of Mobility, Enhanced Storage Capacity, and Volume Change during Sodiation on Interlayer-Expanded Functionalized Ti3C2 MXene Anode Materials for Sodium-Ion Batteries

Journal of Physical Chemistry C
2016 | Journal article
DOI: 10.1021/acs.jpcc.5b10366
WOSUID:

WOS:000372561200003
Contributors: Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Adsorption and substitution effects of Mg on the growth of calcium sulfate hemihydrate: An ab initio DFT study

Applied Surface Science
2015 | Journal article
DOI: 10.1016/j.apsusc.2015.09.223
WOSUID:

WOS:000366219700029
Contributors: Xin, Yan; Hou, S. C.; Xiang, Lan; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Influence of structure on the morphology of CaSO4 center dot nH(2)O (n=0, 0.5, 2): A molecular simulation study

Materials Research Innovations
2015 | Journal article
DOI: 10.1179/1432891715Z.0000000001313
WOSUID:

WOS:000354959200018
Contributors: Xin, Y.; Xiang, L.; Yu, Y. -X.
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

N2O + CO reaction over Si- and Se-doped graphenes: An ab initio DFT study

Applied Surface Science
2015 | Journal article
DOI: 10.1016/j.apsusc.2015.09.163
WOSUID:

WOS:000366216900154
Contributors: Gholizadeh, Reza; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

A dispersion-corrected DFT study on adsorption of battery active materials anthraquinone and its derivatives on monolayer graphene and h-BN

Journal of Materials Chemistry a
2014 | Journal article
DOI: 10.1039/c4ta00103f
WOSUID:

WOS:000336848600045
Contributors: Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Binding Energy and Work Function of Organic Electrode Materials Phenanthraquinone, Pyromellitic Dianhydride and Their Derivatives Adsorbed on Graphene

Acs Applied Materials & Interfaces
2014 | Journal article
DOI: 10.1021/am504452a
WOSUID:

WOS:000342328300077
Contributors: Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface

Physical Chemistry Chemical Physics
2014 | Journal article
DOI: 10.1039/c3cp54275k
WOSUID:

WOS:000332395700027
Contributors: Li, Yingfeng; Li, Meicheng; Wang, Tai; Bai, Fan; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Work Functions of Pristine and Heteroatom-Doped Graphenes under Different External Electric Fields: An ab Initio DFT Study

Journal of Physical Chemistry C
2014 | Journal article
DOI: 10.1021/jp5095195
WOSUID:

WOS:000345891900077
Contributors: Gholizadeh, Reza; Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface

Applied Surface Science
2013 | Journal article
DOI: 10.1016/j.apsusc.2013.07.081
WOSUID:

WOS:000324248600029
Contributors: Li, Yingfeng; Li, Meicheng; Gu, TianSheng; Bai, Fan; Yu, Yue; Trevor, Mwenya; Yu, Yangxin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Can all nitrogen-doped defects improve the performance of graphene anode materials for lithium-ion batteries?

Physical Chemistry Chemical Physics
2013 | Journal article
DOI: 10.1039/c3cp51689j
WOSUID:

WOS:000324749900054
Contributors: Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Graphenylene: a promising anode material for lithium-ion batteries with high mobility and storage

Journal of Materials Chemistry a
2013 | Journal article
DOI: 10.1039/c3ta12639k
WOSUID:

WOS:000325991700024
Contributors: Yu, Yang-Xin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Interaction of Human Synovial Phospholipase A2 with Mixed Lipid Bilayers: A Coarse-Grain and All-Atom Molecular Dynamics Simulation Study

Biochemistry
2013 | Journal article
DOI: 10.1021/bi3012687
WOSUID:

WOS:000315618600017
Contributors: Qin, Shan-Shan; Yu, Yang-Xin; Li, Qi-Kai; Yu, Zhi-Wu
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Molecular dynamics simulation of the A-DNA to B-DNA transition in aqueous RbCl solution

Science China-Chemistry
2013 | Journal article
DOI: 10.1007/s11426-012-4825-1
WOSUID:

WOS:000317354100016
Contributors: Yu YangXin; Fujimoto, Shintaro
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Molecular simulation of MCM-41: Structural properties and adsorption of CO2, N-2 and flue gas

Chemical Engineering Journal
2013 | Journal article
DOI: 10.1016/j.cej.2012.12.078
WOSUID:

WOS:000317541200030
Contributors: Jing, Yu; Wei, Li; Wang, Yundong; Yu, Yangxin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

Simulation study on dynamics of A- to B-form transition in aqueous DNA solution: Effect of alkali metal counterions

Science China-Chemistry
2013 | Journal article
DOI: 10.1007/s11426-013-4959-9
WOSUID:

WOS:000328211300008
Contributors: Yu YangXin; Fujimoto, Shintaro
Source: Self-asserted source
Yang-Xin Yu via ResearcherID

The over-step coalescence of carbon atoms on copper surface in the CVD growth of graphene: density functional calculations

Aip Advances
2013 | Journal article
DOI: 10.1063/1.4808202
WOSUID:

WOS:000320673600030
Contributors: Li, Yingfeng; Li, Meicheng; Gu, TianSheng; Bai, Fan; Yu, Yue; Mwenya, Trevor; Yu, Yangxin
Source: Self-asserted source
Yang-Xin Yu via ResearcherID
Items per page:
Page 1 of 3

Peer review (33 reviews for 18 publications/grants)

Review activity for Accounts of chemical research. (1)
Review activity for ACS applied nano materials. (4)
Review activity for ACS omega. (2)
Review activity for Advanced functional materials. (1)
Review activity for Chemical engineering journal. (1)
Review activity for Chemistry of materials. (1)
Review activity for Colloids and surfaces. (1)
Review activity for Current opinion in chemical engineering. (1)
Review activity for Electrochimica acta. (1)
Review activity for Environmental science & technology. (2)
Review activity for Journal of physical chemistry. (3)
Review activity for Langmuir : (2)
Review activity for Materials today. (2)
Review activity for Matter. (1)
Review activity for Nature communications (2)
Review activity for Small. (1)
Review activity for Surfaces and interfaces. (1)
Review activity for The journal of physical chemistry letters. (6)
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