Xiuyun Zhao

Electrochemical Prelithiation of Self-Standing Mesoporous Silicon Film Anodes for Enhanced Si‖NMC Full-Cell Performance

Zhao, Xiuyun; Muraleedharan Pillai, Manoj; Kalidas, Nathiya; Karuppiah, Saravanan; Hernández, Guiomar; Brandell, Daniel; Lehto, Vesa Pekka, 2025, Journal of the electrochemical society, 172, 8, 080512. A1 Journal article (refereed), original research

Constructing highly efficient bifunctional catalysts for oxygen reduction and oxygen evolution by modifying MXene with transition metal

Dai, Yu; Zhao, Xiuyun; Zheng, Desheng; Zhao, Qingrui; Feng, Jing; Feng, Yingjie; Ge, Xingbo; Chen, Xin, 2024, Journal of colloid and interface science, 660, 628-636. A1 Journal article (refereed), original research

Density Functional Theory Study of Nanostructured Pd–C4N/XMoY (X, Y = S, Se, Te) Heterostructures for Oxygen Reduction, Oxygen Evolution, and Hydrogen Evolution Reactions

Liu, Qifang; Zhao, Xiuyun; Zheng, Desheng; Zhao, Qingrui; Feng, Jing; Ge, Xingbo; Feng, Yingjie; Chen, Xin, 2024, ACS applied nano materials, 7, 12, 14574-14583. A1 Journal article (refereed), original research

First-principle calculations study of oxygen reduction electrocatalyst: Single transition metal supported on a brand-new graphitic carbon nitride (g-C7N3) substrate

Cai, Xiaoyin; Luo, Liang; Zhao, Xiuyun; Feng, Yingjie; Chen, Xin, 2024, Molecular Catalysis, 554, 113844. A1 Journal article (refereed), original research

First-principles study of the electronic and catalytic properties of nickel-antimony (Ni-Sb) alloy catalyst for hydrogen evolution reaction

Xue, Pengyan; Zhao, Xiuyun; Zheng, Desheng; Zhao, Qingrui; Feng, Jing; Feng, Yingjie; Chen, Xin, 2024, Computational materials science, 234, 112778. A1 Journal article (refereed), original research

Production of porous silicon from silicon wafer waste for Li-ion batteries via low load metal assisted catalytic etching

Muraleedharan Pillai, Manoj; Zhao, Xiuyun; Kalidas, Nathiya; Tamarov, Konstantin; Lehto, Vesa-Pekka, 2024, Microporous and mesoporous materials, 367, 113004. A1 Journal article (refereed), original research

Single transition metal atom supported on NiOOH as highly efficient electrocatalyst for oxygen reduction and oxygen evolution reaction: A DFT study

Deng, Jie; Zheng, Desheng; Zhao, Xiuyun; Zhao, Lei; Zhou, Yue; Feng, Yingjie; Chen, Xin, 2024, Colloids and surfaces a: physicochemical and engineering aspects, 681, 132857. A1 Journal article (refereed), original research

Transition metal doped into defective boron nitride nanotubes for CO2RR: Regulation of catalytic activity and mechanism by curvature effect

Chen, Qigang; Ke, Qiang; Zhao, Xiuyun; Feng, Yingjie; Zhao, Qingrui; Feng, Jing; Ge, Xingbo; Chen, Xin, 2024, Separation and purification technology, 338, 126552. A1 Journal article (refereed), original research

Comparative computational study of CO2 hydrogenation and dissociation on metal-doped Pd clusters

Guo, Detang; Liu, Jiangshan; Zhao, Xiuyun; Yang, Xu; Chen, Xin, 2023, Separation and purification technology, 313, 123462. A1 Journal article (refereed), original research

Effect of the Axial Halogen Ligand on the Oxygen Reduction Reaction Performance of Transition Metal-Nitrogen-Carbon Catalysts

Chen, Xin; Zhang, Yizhen; Zhao, Xiuyun; Yu, Hua; Zhang, Hui, 2023, Journal of physical chemistry c, 127, 29, 14107–14116. A1 Journal article (refereed), original research

Enhanced catalytic activity for methanol synthesis from CO2 hydrogenation by doping indium into the step edge of Rh(211): A theoretical study

Chen, Qin; Ke, Qiang; Zhao, Xiuyun; Chen, Xin, 2023, Molecular Catalysis, 542, 113123. A1 Journal article (refereed), original research

Graphene-Supported Tin Single-Atom Catalysts for CO2 Hydrogenation to HCOOH: A Theoretical Investigation of Performance under Different N Coordination Numbers

Liang, Xiaotao; Ke, Qiang; Zhao, Xiuyun; Chen, Xin, 2023, ACS applied nano materials, 6, 6, 4489-4498. A1 Journal article (refereed), original research

Heterometallic cluster-based organic frameworks as highly active electrocatalysts for oxygen reduction and oxygen evolution reaction: a density functional theory study

Chen, Xin; Luo, Liang; Huang, Shihong; Ge, Xingbo; Zhao, Xiuyun, 2023, Frontiers of chemical science and engineering, 17, 5, 570-580. A1 Journal article (refereed), original research

High-performance screening of carbon-nitride single-atom catalysts for oxygen electrode reaction in rechargeable metal–air batteries

Li, Yahui; Feng, Yingjie; Zheng, Desheng; Zhao, Xiuyun; Zhou, Yue; Fu, Xiaoyue; Chen, Xin, 2023, Chemical engineering journal, 476, 146753. A1 Journal article (refereed), original research

Oxo transition metal anchored on C3N4 with constructing a high-activity bifunctional electrocatalyst for rechargeable metal–air batteries

Li, Yahui; Zhao, Xiuyun; Chen, Xin, 2023, Physical chemistry chemical physics, 25, 30, 20606–20617. A1 Journal article (refereed), original research

Probing high catalytic activity and selectivity of enzyme-mimicking single-atom catalysts formed by pyrrole-type M-N4 sites embedded into g-C3N4 for oxygen reduction reaction

Zhu, Haiye; Zhao, Xiuyun; Chen, Xin, 2023, Journal of environmental chemical engineering, 11, 5, 110382. A1 Journal article (refereed), original research

Rare Earth Metal Anchored into Nitrogen-Doped Graphene for CO2 Electrocatalytic Reduction to C1 Products

Liu, Siying; Zheng, Desheng; Zhao, Lei; Zhao, Xiuyun; Chen, Xin, 2023, Langmuir, 39, 41, 14748-14757. A1 Journal article (refereed), original research

Revealing the steric effects of cobalt porphyrin on the selectivity of oxygen reduction reaction

Chen, Xin; Dai, Yu; Zhang, Hui; Zhao, Xiuyun, 2023, Colloids and surfaces a: physicochemical and engineering aspects, 663, 131091. A1 Journal article (refereed), original research

Rh4 cluster supported on the In2O3(111) surface for enhancing the turnover frequency of CO2 hydrogenation to methanol: The application of energetic span model

Chen, Qin; Zhao, Lei; Zhao, Xiuyun; Chen, Xin, 2023, Separation and purification technology, 2024; 329, 125107. A1 Journal article (refereed), original research

Ruthenium-doped boron nitride nanotubes as promising electrocatalysts for carbon dioxide reduction to methane

Chen, Qigang; Ke, Qiang; Zhao, Xiuyun; Chen, Xin, 2023, Diamond and related materials, 136, 109942. A1 Journal article (refereed), original research

Screening of single transition metal substitution in two-dimensional Mo2CTx MXene electrocatalyst with ultrahigh activity for oxygen reduction reaction

Chen, Xin; Zhang, Yizhen; Lin, Shangyu; Zhang, Hui; Zhao, Xiuyun, 2023, Surfaces and interfaces, 36, 102585. A1 Journal article (refereed), original research

Screening of transition metal-based MOF as highly efficient bifunctional electrocatalysts for oxygen reduction and oxygen evolution

Chen, Xin; Li, Yahui; Zhao, Xiuyun, 2023, Surfaces and interfaces, 38, 102821. A1 Journal article (refereed), original research

Single transition metal-decorated C4N/MoS2 heterostructure for boosting oxygen reduction, oxygen evolution, and hydrogen evolution

Liu, Qifang; Zhao, Xiuyun; Chen, Xin, 2023, Journal of colloid and interface science, 648, 787-797. A1 Journal article (refereed), original research

Theoretical Screening of Highly Efficient Single-Atom Catalysts Based on Covalent Triazine Frameworks for Oxygen Reduction

Chen, Xin; Luo, Liang; Zhang, Yizhen; Zhao, Xiuyun, 2023, Langmuir, 39, 19, 6905-6913. A1 Journal article (refereed), original research

Theoretical prediction of emerging high-performance trifunctional ORR/OER/HER single-atom catalysts: transition metals anchored into π–π conjugated graphitic carbon nitride (g-C10N3)

Zhu, Haiye; Feng, Yingjie; Zheng, Desheng; Zhao, Xiuyun; Zhou, Yue; Fu, Xiaoyue; Zhao, Lei; Chen, Xin, 2023, Physical chemistry chemical physics, 25, 46, 31983-31994. A1 Journal article (refereed), original research

Theoretical study on the graphitic alkyne-like metal–organic framework materials as the high-performance electrocatalysts for oxygen reduction reaction

Cai, Xiaoyin; Tan, Jingsong; Zhu, Haiye; Zhao, Xiuyun; Zhao, Lei; Chen, Xin, 2023, Chemical physics letters, 832, 140889. A1 Journal article (refereed), original research

Two-dimensional phthalocyanine-based covalent organic frameworks as high-performance electrocatalysts for oxygen reduction and oxygen evolution

Li, Yahui; Tan, Jingsong; Zhao, Xiuyun; Zhao, Lei; Chen, Xin, 2023, Materials today communications, 37, 107157. A1 Journal article (refereed), original research

A comprehensive DFT study of CO2 methanation on the Ru-doped Ni(111) surface

Liang, Xiaotao; Kang, Liming; Ke, Qiang; Zhao, Xiuyun; Chen, Xin, 2022, Colloids and surfaces a: physicochemical and engineering aspects, 652, 129858. A1 Journal article (refereed), original research

Biomass-Based Silicon and Carbon for Lithium-Ion Battery Anodes

Muraleedharan Pillai, Manoj; Kalidas, Nathiya; Zhao, Xiuyun; Lehto, Vesa-Pekka, 2022, Frontiers in chemistry, 10, 882081. A2 Review article, Literature review, Systematic review

Controlled surface oxidation of mesoporous silicon microparticles to achieve a stable Si/SiOx anode for lithium-ion batteries

Kalidas, Nathiya; Shen, Xueling; Yuan, Minjuan; Zhao, Xiuyun; Lehto, Vesa-Pekka, 2022, Microporous and mesoporous materials, 344, 112243. A1 Journal article (refereed), original research

Exploring high-efficiency electrocatalysts of metal-doped two-dimensional C4N for oxygen reduction, oxygen evolution, and hydrogen evolution reactions by first-principles screening

Chen, Xin; Liu, Qifang; Zhang, Hui; Zhao, Xiuyun, 2022, Physical chemistry chemical physics, 24, 42, 26061-26069. A1 Journal article (refereed), original research

Self-standing mesoporous Si films as anodes for lithium-ion microbatteries

Zhao, Xiuyun; Kalidas, Nathiya; Lehto, Vesa-Pekka, 2022, Journal of power sources, 529, 231269. A1 Journal article (refereed), original research

Challenges and prospects of nanosized silicon anodes in lithium-ion batteries

Zhao, Xiuyun; Lehto, Vesa-Pekka, 2020, Nanotechnology, 32, 4, 42002. A1 Journal article (refereed), original research

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Electrochemical Prelithiation of Self-Standing Mesoporous Silicon Film Anodes for Enhanced Si‖NMC Full-Cell Performance

Constructing highly efficient bifunctional catalysts for oxygen reduction and oxygen evolution by modifying MXene with transition metal

Density Functional Theory Study of Nanostructured Pd–C4N/XMoY (X, Y = S, Se, Te) Heterostructures for Oxygen Reduction, Oxygen Evolution, and Hydrogen Evolution Reactions

First-principle calculations study of oxygen reduction electrocatalyst: Single transition metal supported on a brand-new graphitic carbon nitride (g-C7N3) substrate

First-principles study of the electronic and catalytic properties of nickel-antimony (Ni-Sb) alloy catalyst for hydrogen evolution reaction

Production of porous silicon from silicon wafer waste for Li-ion batteries via low load metal assisted catalytic etching

Single transition metal atom supported on NiOOH as highly efficient electrocatalyst for oxygen reduction and oxygen evolution reaction: A DFT study

Transition metal doped into defective boron nitride nanotubes for CO2RR: Regulation of catalytic activity and mechanism by curvature effect

Comparative computational study of CO2 hydrogenation and dissociation on metal-doped Pd clusters

Effect of the Axial Halogen Ligand on the Oxygen Reduction Reaction Performance of Transition Metal-Nitrogen-Carbon Catalysts

Enhanced catalytic activity for methanol synthesis from CO2 hydrogenation by doping indium into the step edge of Rh(211): A theoretical study

Graphene-Supported Tin Single-Atom Catalysts for CO2 Hydrogenation to HCOOH: A Theoretical Investigation of Performance under Different N Coordination Numbers

Heterometallic cluster-based organic frameworks as highly active electrocatalysts for oxygen reduction and oxygen evolution reaction: a density functional theory study

High-performance screening of carbon-nitride single-atom catalysts for oxygen electrode reaction in rechargeable metal–air batteries

Oxo transition metal anchored on C3N4 with constructing a high-activity bifunctional electrocatalyst for rechargeable metal–air batteries

Probing high catalytic activity and selectivity of enzyme-mimicking single-atom catalysts formed by pyrrole-type M-N4 sites embedded into g-C3N4 for oxygen reduction reaction

Rare Earth Metal Anchored into Nitrogen-Doped Graphene for CO2 Electrocatalytic Reduction to C1 Products

Revealing the steric effects of cobalt porphyrin on the selectivity of oxygen reduction reaction

Rh4 cluster supported on the In2O3(111) surface for enhancing the turnover frequency of CO2 hydrogenation to methanol: The application of energetic span model

Ruthenium-doped boron nitride nanotubes as promising electrocatalysts for carbon dioxide reduction to methane

Screening of single transition metal substitution in two-dimensional Mo2CTx MXene electrocatalyst with ultrahigh activity for oxygen reduction reaction

Screening of transition metal-based MOF as highly efficient bifunctional electrocatalysts for oxygen reduction and oxygen evolution

Single transition metal-decorated C4N/MoS2 heterostructure for boosting oxygen reduction, oxygen evolution, and hydrogen evolution

Theoretical Screening of Highly Efficient Single-Atom Catalysts Based on Covalent Triazine Frameworks for Oxygen Reduction

Theoretical prediction of emerging high-performance trifunctional ORR/OER/HER single-atom catalysts: transition metals anchored into π–π conjugated graphitic carbon nitride (g-C10N3)

Theoretical study on the graphitic alkyne-like metal–organic framework materials as the high-performance electrocatalysts for oxygen reduction reaction

Two-dimensional phthalocyanine-based covalent organic frameworks as high-performance electrocatalysts for oxygen reduction and oxygen evolution

A comprehensive DFT study of CO2 methanation on the Ru-doped Ni(111) surface

Biomass-Based Silicon and Carbon for Lithium-Ion Battery Anodes

Controlled surface oxidation of mesoporous silicon microparticles to achieve a stable Si/SiOx anode for lithium-ion batteries

Exploring high-efficiency electrocatalysts of metal-doped two-dimensional C4N for oxygen reduction, oxygen evolution, and hydrogen evolution reactions by first-principles screening

Self-standing mesoporous Si films as anodes for lithium-ion microbatteries

Challenges and prospects of nanosized silicon anodes in lithium-ion batteries