Publications by authors named "Yangxin Yu"

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Oxygen-transfer from NO to CO via Y-doped TiCO (MXene) monolayer at room temperature: Density functional theory and ab initio molecular simulation studies.
Yang-Xin Yu

J Colloid Interface Sci· October 2025

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Synergistic Effects of Activatable Photodynamic Therapy and Crisaborole for Psoriasis through Senolysis and Immunomodulation.
Yangxin Yu, Xinhang Lv, Zhuowei Chen, Xiaokang Li, Liru Chen

J Med Chem· August 2025

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Effective and Green Treatment of Cyanide-Containing Wastewater over Two-Dimensional Conjugated Metal-Organic Frameworks: A Combined Density Functional Theory and Descriptor Study.
Rongwei Shi, Yang-Xin Yu

Langmuir· June 2025

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Multilayer entropy-weighted TOPSIS method and its decision-making in ecological operation during the subsidence period of the Three Gorges Reservoir.
Ai Xueshan, Yu Yangxin, Liang Zhiming, Shi Xuanyu, Cao Rui

Sci Rep· January 2025

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Synthesis and Mechanism of 1D ZnO Based on Alkaline Dissolution-Conversion Strategy of High Stable and Soluble ɛ-Zn(OH).
Shuyu Lin, Zhi-Hai Wu, Fan Yang, Jin Fu, Yang-Xin Yu

Small· August 2024

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Rational Regulation of Optimal Oxygen Vacancy Concentrations on VO for Superior Aqueous Zinc-Ion Battery Cathodes.
Chen Zhang, Zhi-Hai Wu, Ci-Qing Yang, Xiao-Ze Guo, Yang-Xin Yu

ACS Appl Mater Interfaces· August 2024

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Theoretical insights into surface-phase transition and ion competition during alkali ion intercalation on the CuSe nanosheet.
Yang-Xin Yu

Phys Chem Chem Phys· December 2023

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Possibilities of Controlling the Quantum States of Hole Qubits in an Ultrathin Germanium Layer Using a Magnetic Substrate: Results from ab Initio Calculations.
Andrey N Chibisov, Mary A Chibisova, Anastasiia V Prokhorenko, Kirill V Obrazcov, Aleksandr S Fedorov, Yang-Xin Yu

Nanomaterials (Basel)· December 2023

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A theoretical descriptor for screening efficient NO reduction electrocatalysts from transition-metal atoms on N-doped BP monolayer.
Jie Wu, Yang-Xin Yu

J Colloid Interface Sci· October 2022

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How Do Oxygen Vacancies Influence the Catalytic Performance of Two-Dimensional Nb O in Lithium- and Sodium-Oxygen Batteries?
Jia-Hui Li, Yang-Xin Yu

ChemSusChem· December 2021

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Enhanced catalytic performance of pillared δ-MnO with enlarged layer spaces for lithium- and sodium-oxygen batteries: a theoretical investigation.
Jia-Hui Li, Yang-Xin Yu

Nanoscale· December 2021

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Theoretical Exploration of Electrochemical Nitrate Reduction Reaction Activities on Transition-Metal-Doped -BP.
Jie Wu, Jia-Hui Li, Yang-Xin Yu

J Phys Chem Lett· April 2021

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Single Nb or W Atom-Embedded BP Monolayers as Highly Selective and Stable Electrocatalysts for Nitrogen Fixation with Low-Onset Potentials.
Jie Wu, Jia-Hui Li, Yang-Xin Yu

ACS Appl Mater Interfaces· March 2021

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A Theoretical Analysis on the Oxidation and Water Dissociation Resistance on Group-IV Phosphide Monolayers.
Jie Wu, Jia-Hui Li, Yang-Xin Yu

Chemphyschem· November 2020

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Stabilities of group-III phosphide (MP, M = B, Al, Ga and In) monolayers in oxygen and water environments.
Jie Wu, Jia-Hui Li, Yang-Xin Yu

Phys Chem Chem Phys· April 2020

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Excellent Infrared Nonlinear Optical Crystals BaMO(IO₃)₅ (M = V, Ta) Predicted by First Principle Calculations.
Yingfeng Li, Mengqi Cui, Hejin Yan, Yangxin Yu, Meicheng Li

Materials (Basel)· September 2018

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Quantum capacitance, electrostatic potential, electronic and structural data for bare and functionalized niobium carbide MXenes.
Yan Xin, Yang-Xin Yu

Data Brief· December 2017

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Efficient and Reversible Electron Doping of Semiconductor-Enriched Single-Walled Carbon Nanotubes by Using Decamethylcobaltocene.
Jian-Long Xu, Rui-Xuan Dai, Yan Xin, Yi-Lin Sun, Xian Li, Yang-Xin Yu

Sci Rep· July 2017

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Binding energy and work function of organic electrode materials phenanthraquinone, pyromellitic dianhydride and their derivatives adsorbed on graphene.
Yang-Xin Yu

ACS Appl Mater Interfaces· September 2014

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DFT study on the atomic-scale nucleation path of graphene growth on the Cu(111) surface.
Yingfeng Li, Meicheng Li, Tai Wang, Fan Bai, Yang-Xin Yu

Phys Chem Chem Phys· March 2014

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

Phys Chem Chem Phys· October 2013

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Interaction of human synovial phospholipase A2 with mixed lipid bilayers: a coarse-grain and all-atom molecular dynamics simulation study.
Shan-Shan Qin, Yang-Xin Yu, Qi-Kai Li, Zhi-Wu Yu

Biochemistry· February 2013

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Structural and kinetic properties of alpha-tocopherol in phospholipid bilayers, a molecular dynamics simulation study.
Shan-Shan Qin, Zhi-Wu Yu, Yang-Xin Yu

J Phys Chem B· December 2009

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High-order virial coefficients and equation of state for hard sphere and hard disk systems.
Jiawen Hu, Yang-Xin Yu

Phys Chem Chem Phys· November 2009

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Ion distributions, exclusion coefficients, and separation factors of electrolytes in a charged cylindrical nanopore: a partially perturbative density functional theory study.
Bo Peng, Yang-Xin Yu

J Chem Phys· October 2009

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