Yingzhe Yu

发表

DFT study of CO2 conversion on InZr3(110) surface.

Minhua Zhang, Maobin Dou, Yingzhe Yu, 2017, Physical chemistry chemical physics : PCCP.

Dehydration of Ethanol to Ethylene

Minhua Zhang, Yingzhe Yu, 2013 .

Study on the Reaction Species of 1, 3-Butadiene Formation from Bio-ethanol on ZrO2

Minhua Zhang, Yingzhe Yu, Meixiang Gao, 2016, Catalysis Letters.

Methane formation from successive hydrogenation of C over stepped Ni and Ni3Fe surfaces: Effect of surface composition

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2017 .

A DFT study on Zr-SBA-15 catalyzed conversion of ethanol to 1,3-butadiene.

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2018, Physical chemistry chemical physics : PCCP.

Insight into carbon formation from acetic acid decomposition over Pd(100) via density functional theory calculations

Minhua Zhang, Yingzhe Yu, Xuanyu Sun, 2017 .

Experimental and theoretical insights into the cyclotrimerization of acetylene during vinyl acetate synthesis

Minhua Zhang, Yingzhe Yu, Jianyu Zhuang, 2019 .

Structure sensitivity of CH4 formation from successive hydrogenation of C on cobalt: Insights from density functional theory

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2019 .

A DFT Study of Ethanol Adsorption and Dehydrogenation on Cu/Cr2O3 Catalyst

Minhua Zhang, Yingzhe Yu, Guiming Li, 2014, Catalysis Letters.

A DFT Study on the Structure and Properties of Cu/Cr2O3 Catalyst

Minhua Zhang, Yingzhe Yu, Ruzhen Li, 2012 .

Analysis of adsorption properties of SF6 decomposed gases (SOF2, SO2F2, SF4, CF4, and HF) on Fe-doped SWCNT: A DFT study

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2020 .

A DFT study on the Cu (1 1 1) surface for ethyl acetate synthesis from ethanol dehydrogenation

Minhua Zhang, Yingzhe Yu, Ruzhen Li, 2012 .

DFT study on the structure of Ni/α-Al2O3 catalysts

Minhua Zhang, Yingzhe Yu, Yongbo Zhang, 2013 .

Hydrogen-assisted versus hydroxyl-assisted CO dissociation over Co-doped Cu(111): A DFT study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2018 .

Combined DFT and experimental studies of properties of TiO2 modified USY zeolite

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2015, Journal of Porous Materials.

Theoretical insights into the surface structure of In2O3(1 1 0) surface and its effect on methanol synthesis from CO2 hydrogenation

Minhua Zhang, Yifei Chen, Maobin Dou, 2018 .

A Molecular Dynamics simulation study on nitrobenzene and OH radical in supercritical water

Yingzhe Yu, Xiuqin Dong, Yanping Huang, 2015 .

CuCl2-Mediated Oxidative Coupling of N,N-Dimethylanilines with [60]Fullerene in the Presence of Molecular Oxygen

R. Peng, Yingzhe Yu, Bo Jin, 2016 .

Insight into the effect of promoter Co on C 2 oxygenate formation from syngas on CoCu(100) and Cu(100): A comparative DFT study

Minhua Zhang, Yingzhe Yu, Xuanyu Sun, 2018 .

A density functional theory study on the carbon chain growth of ethanol formation on Cu-Co (111) and (211) surfaces

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2017 .

Theoretical and Experimental Insights into CO2 Formation on Co2C Catalysts in Syngas Conversion to Value-Added Chemicals

Minhua Zhang, Yifei Chen, Yingzhe Yu, 2022, Applied Surface Science.

Key Roles of Formyl Insertion Mechanism and C-O Scission of Oxygenates on Cobalt Carbide in Syngas Conversion: A Detailed Reaction Network Analysis

Minhua Zhang, Yingzhe Yu, Lingtao Wang, 2022, Journal of Catalysis.

Self-assembly mechanism of 1,3:2,4-di(3,4-dichlorobenzylidene)-D-sorbitol and control of the supramolecular chirality.

Yingzhe Yu, Jian Song, Jingjing Li, 2014, Langmuir : the ACS journal of surfaces and colloids.

Density Functional Theory study of the structural and electronic properties of H3PO4/ZSM-5

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2014 .

Mechanistic Insight into the Modification of the Surface Stability of In2O3 Catalyst Through Metal Oxide Doping

Minhua Zhang, Yifei Chen, Maobin Dou, 2018, Catalysis Letters.

Theoretical study of methanol synthesis from CO2 and CO hydrogenation on the surface of ZrO2 supported In2O3 catalyst

Minhua Zhang, Yifei Chen, Maobin Dou, 2018, Surface Science.

DFT study of In2O3-catalyzed methanol synthesis from CO2 and CO hydrogenation on the defective site

Minhua Zhang, Yifei Chen, Maobin Dou, 2018 .

Comparative Kinetic Monte Carlo Study of Acetic Acid Decomposition to Surface Carbon Species and Undesirable Byproducts on Pd(100) and Pd/Au(100) from Density Functional Theory-Based Calculations

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2017 .

DFT Investigation of Polyethylene-co-vinyl Acetate: Kinetics of Initiation and Propagation, Copolymer Composition, and Unit Sequence Distribution

Minhua Zhang, Yingzhe Yu, Suocheng Chi, 2022, Industrial & Engineering Chemistry Research.

A comparative DFT study on the dehydrogenation of methanol on Rh(100) and Rh(110)

Minhua Zhang, Yingzhe Yu, Xingyu Wu, 2018 .

An investigation on chain transfer to monomers and initiators, termination of radical chains and primary radicals in EVA copolymerization process based on DFT calculation and microkinetic simulation

Minhua Zhang, Yingzhe Yu, Suocheng Chi, 2022, Polymer.

A DFT Study of Methanol Synthesis from CO2 Hydrogenation on the Pd(111) Surface

Minhua Zhang, Maobin Dou, Yingzhe Yu, 2018, Catalysis Letters.

A density functional theory study on ethylene formation and conversion over P modified ZSM-5

Yingzhe Yu, Xiuqin Dong, Yanping Huang, 2015 .

Simulation study on the co-polymerization of vinyl acetate between ethylene

Yingzhe Yu, Xiuqin Dong, Jie Cheng, 2022, Chemical Engineering Science.

Insights into the mechanism of ethanol conversion into 1,3-butadiene on Zr-β zeolite

Minhua Zhang, Yingzhe Yu, Jianyu Zhuang, 2021, Applied Surface Science.

Theoretical investigation on pyrolysis mechanism of glycerol

Minhua Zhang, Yingzhe Yu, Geng Zhongfeng, 2012 .

Process Simulation of Laboratory Wastewater Treatment via Supercritical Water Oxidation

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2014 .

Study on catalytic and non-catalytic supercritical water oxidation of p-nitrophenol wastewater

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2015 .

Ethylene decomposition over Pt(100): A mechanism study from first principle calculation

Yuchun Wang, Minhua Zhang, Yingzhe Yu, 2016 .

Study of Ethanol/Acetaldehyde to 1,3-Butadiene Over MgO–SiO2 Catalyst: Comparative Investigation of Deactivation Behaviour Due to Carbon Deposition

Minhua Zhang, Haoxi Jiang, Yingzhe Yu, 2019, Catalysis Letters.

A DFT study on the aldol condensation reaction on MgO in the process of ethanol to 1,3-butadiene: understanding the structure-activity relationship.

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2017, Physical chemistry chemical physics : PCCP.

Effect of Ni(111) surface alloying by Pt on partial oxidation of methane to syngas: A DFT study

Minhua Zhang, Yingzhe Yu, Xiaohang Zhang, 2014 .

CO Dissociation Mechanism on Mn-Doped Fe(100) Surface: A Computational Investigation

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2019, Catalysis Letters.

DFT research of methane preliminary dissociation on aluminum catalyst

Minhua Zhang, Yingzhe Yu, Yongbo Zhang, 2013 .

Mechanistic insight into methane dry reforming over cobalt: a density functional theory study.

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2020, Physical chemistry chemical physics : PCCP.

Molecular simulation and experimental study on propylene dehumidification through a PVA–PAA blend membrane

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2014 .

A density functional theory study on ethylene decomposition to carbon monomer on Cu(410) surface

Yingzhe Yu, Yantao Hu, 2019, Computational Materials Science.

Insight into the Mechanism of Ethylene Decomposition Over Co(0001) Surface: Formation of Carbon Species

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2019, Catalysis Letters.

Insight into carbon formation from ethylene decomposition over Pd(1 0 0) via density functional theory calculations

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2015 .

Study on key step of 1,3-butadiene formation from ethanol on MgO/SiO2

Minhua Zhang, Yingzhe Yu, Meixiang Gao, 2015 .

Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfaces.

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2017, Physical chemistry chemical physics : PCCP.

Theoretical insight into the mechanism of CO2 and H2O formation from CO and OH over stepped Ni and Fe/Ni bimetallic surfaces

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2023, Applied Surface Science.

Effect of transition metal-doped Ni(211) for CO dissociation: Insights from DFT calculations

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2017 .

Direct versus hydrogen-assisted CO dissociation over stepped Ni and Ni3Fe surfaces: a computational investigation.

Minhua Zhang, Yingzhe Yu, Kuiwei Yang, 2015, Physical chemistry chemical physics : PCCP.

The effects of alkalis on the dechlorination of o-chlorophenol in supercritical water: Molecular dynamics simulation and experiment

Minhua Zhang, B. Zheng, Yingzhe Yu, 2014 .

Distribution of aluminum and its influence on the acid strength of Y zeolite

Minhua Zhang, Yingzhe Yu, Na Wang, 2013 .

A DFT study on ZrO2 surface in the process of ethanol to 1,3-butadiene: A comprehensive mechanism elucidation

Minhua Zhang, Yingzhe Yu, Jianyu Zhuang, 2018, Applied Surface Science.

Density Functional Theory (DFT) study on the pyrolysis of cellulose: The pyran ring breaking mechanism

Minhua Zhang, Yingzhe Yu, Zhongfeng Geng, 2015 .

KMC Study on Byproduct Formation in the Process of Acetylene to Vinyl Acetate

Minhua Zhang, Yingzhe Yu, Zhenzhen Fu, 2020 .

Study on the solubility parameter of supercritical carbon dioxide system by molecular dynamics simulation

Minhua Zhang, Maobin Dou, Yingzhe Yu, 2017 .

Mechanism insight into MnO for CO activation and O removal processes on Co(0001) surface: A DFT and kMC study

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2021 .

The mechanism of methanol dehydrogenation on the PdAu(1 0 0) surface: A DFT study

Minhua Zhang, Yingzhe Yu, Yufei Wu, 2020 .

A density functional theory study on the conversion of ethylene to carbon monomer on PdAu(1 0 0) surface

Minhua Zhang, Bing Yang, Yingzhe Yu, 2015 .

Comparison of the conversion of ethylene to ethylidyne on Pd-Au(100): A density functional study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2017 .

Density Functional Theory (DFT) Study on the Dehydration of Cellulose

Minhua Zhang, Yingzhe Yu, Zhongfeng Geng, 2011 .

DFT study on the side reactions of Aldol condensation on MgO in the production of 1,3-butadiene from ethanol

Minhua Zhang, Yingzhe Yu, H. Chen, 2021 .

Insight into the effect of promoters (M = Cu, Ag, Zn, Zr) on aldol condensation reaction based on MgO surface in the process of ethanol to 1, 3-butadiene: A comparative DFT study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2019, Applied Surface Science.

Theoretical study of the promotional effect of ZrO 2 on In 2 O 3 catalyzed methanol synthesis from CO 2 hydrogenation

Minhua Zhang, Maobin Dou, Yingzhe Yu, 2018 .

Insights into the Fischer–Tropsch mechanism on χ-Fe5C2(510) based on the hydrogen coverage effect

J. Ren, Yingzhe Yu, N. Ai, 2023, Molecular Catalysis.

Absorption and emission of ErNbO4 powder

Yingzhe Yu, Yufang Wang, E. Pun, 2004 .

Insight into the Fischer–Tropsch mechanism on hcp-Fe7C3 (211) by density functional theory: the roles of surface carbon and vacancies

Yingzhe Yu, N. Ai, Jie Ren, 2021, RSC advances.

Adsorption and decomposition of H2S on the Ni(1 1 1) and Ni(2 1 1) surfaces: A first-principles density functional study

Minhua Zhang, Yingzhe Yu, Zhenzhen Fu, 2019, Applied Surface Science.

Density Functional Theory Investigation on the Synthesis Mechanism of Vinyl Acetate from Acetylene and Acetic Acid Catalyzed by Ordered Mesoporous Carbon-Supported Zinc Acetate

Yuchun Wang, Minhua Zhang, Yingzhe Yu, 2018 .

Comparison of the coupling of ethylene with acetate species and ethylene dehydrogenation on Pd–Au(100): a density functional study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2016 .

A comprehensive comparative DFT study on adsorption and reactions involved in vinyl acetate synthesis from acetoxylation of ethylene on pure Pd(100) and Pd-Au(100): Elucidating the role of Au

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2016 .

The Influence of Surface Oxygen and Hydroxyl Groups on the Dehydrogenation of Ethylene, Acetic Acid and Hydrogenated Vinyl Acetate on Pd/Au(100): A DFT Study

Yingzhe Yu, Xiuqin Dong, Yanping Huang, 2016, Catalysis Letters.

Mechanistic Insights into the Meerwein–Ponndorf–Verley Reaction and Relative Side Reactions over MgO in the Process of Ethanol to 1,3-Butadiene: A DFT Study

Minhua Zhang, Yingzhe Yu, Yufei Wu, 2021 .

Density functional calculations on the distribution of Ti in a Y zeolite and its influence on acidity

Minhua Zhang, Yingzhe Yu, Na Wang, 2014 .

Theoretical Insights into the Removal Pathways of Adsorbed Oxygen on the Surface of Χ-Fe5c2(510)

Minhua Zhang, Yingzhe Yu, Xinyue Guan, 2023, SSRN Electronic Journal.

DFT investigations on the conversion of acetylene to undesired vinyl acetylene during vinyl acetate synthesis

Xuewei Huang, Minhua Zhang, Bing Yang, 2017 .

Mechanisms of Transforming CHx to CO on Ni(111) Surface by Density Functional Theory

Minhua Zhang, Yingzhe Yu, Hao Lei, 2019, Transactions of Tianjin University.

Mechanisms of Transforming CHx to CO on Ni(111) Surface by Density Functional Theory

Minhua Zhang, Yingzhe Yu, Hao Lei, 2019, Transactions of Tianjin University.

A density functional theory study on the acetylene cyclotrimerization on Pd-modified Au(111) surface

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2017 .

DFT study on effect of CO on the system of acetoxylation of ethylene to vinyl acetate

Minhua Zhang, Yingzhe Yu, Meixiang Gao, 2014 .

The influence of surface oxygen and hydroxyl groups on the dehydrogenation of ethylene, acetic acid and hydrogenated vinyl acetate on pure Pd(1 0 0): A DFT study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2016 .

Effect of copper size and structure on catalytic hydrogenation of acetyl: A comparative DFT study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2019, Applied Surface Science.

Insights into the Hydrogen Coverage Effect and the Mechanism of Fischer–Tropsch to Olefins Process on Fe5C2 (510)

Jie Ren, Minhua Zhang, Yingzhe Yu, 2020 .

Investigation on the conversion of ethylene to ethylidyne on Pt(100) and Pd(100) using density functional theory.

Yuchun Wang, Minhua Zhang, Yingzhe Yu, 2016, Physical chemistry chemical physics : PCCP.

Carbon chain growth mechanism of higher alcohols synthesis from syngas on CoCu(100): A combined DFT and kMC study

Minhua Zhang, Yingzhe Yu, Jie Zhang, 2020 .

Mechanism insight into ethylene oligomerization on zeolite K-LTA surface: a DFT and kMC study

Yingzhe Yu, Xiuqin Dong, Changdong Li, 2023, Applied Surface Science.

Water Adsorption and Decomposition on Co(0001) Surface: A Computational Study

Minhua Zhang, Yingzhe Yu, Heyuan Huang, 2018, Catalysis Letters.

Toward understanding Fischer − Tropsch synthesis on cobalt carbides from first principles and microkinetic analysis

Minhua Zhang, Yingzhe Yu, Guochao Yang, 2023, Chemical Engineering Journal.

Investigating the CO activation mechanism on hcp-Fe7C3 (211) via density functional theory

Jie Ren, Minhua Zhang, Yingzhe Yu, 2021 .

Theoretical Insights into Midchain Radicals and Branching Characteristics in Solution Copolymerization of Ethylene and Vinyl Acetate.

Yingzhe Yu, M. Zhang, Suocheng Chi, 2023, The journal of physical chemistry. B.

Kinetic Monte Carlo study of vinyl acetate synthesis from ethylene acetoxylation on Pd(100) and Pd/Au(100)

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2017 .

Comparison of catalytic performance of metal-modified SAPO-34: a molecular simulation study

Minhua Zhang, Yingzhe Yu, Xiuqin Dong, 2019, Journal of Molecular Modeling.

Al distribution and structural stability of H-BEA zeolites at different Si/Al ratios and temperatures: a first-principles study.

Yingzhe Yu, Changdong Li, Xiuqin Dong, 2023, Physical chemistry chemical physics : PCCP.

Theoretical study coupling DFT calculations and kMC simulation of CO methanation on Ni(111) and Ni3Fe(111)

Yingzhe Yu, M. Zhang, Kuiwei Yang, 2023, New Journal of Chemistry.

DFT study of key elementary steps for C2+ alcohol synthesis on bimetallic sites of Cu-Co shell-core structure from syngas

Minhua Zhang, Yingzhe Yu, H. Gong, 2017 .

Revealing the Reaction Network for Dimethyl Maleate Hydrogenation on the Active Sites of Cu/ZnO Catalysts Combining DFT with kMC Analysis

Yingzhe Yu, Weiwei Zhang, Changdong Li, 2024, ACS Catalysis.

A DFT study on the mechanism of acetaldehyde generation during vinyl acetate synthesis from gas-phase ethylene acetoxylation on Pd/Au (100) surface

Minhua Zhang, Yingzhe Yu, Fuchao Li, 2023, Molecular Catalysis.

Formation mechanism of CO2 in the production of allyl acetate from propylene on PdCu(111) surface: A DFT study

Yingzhe Yu, Weiwei Zhang, Minhua Zhang, 2024, Molecular Catalysis.

Pd/Au(1 0 0) alloy for vinyl acetate synthesis: Effects of surface properties on reagents adsorption

Minhua Zhang, Yingzhe Yu, Qiufeng Hao, 2013 .

Mechanistic insights into ethylene catalytic combustion and CO2 formation in vinyl acetate synthesis

Yingzhe Yu, Minhua Zhang, Xinyue Guan, 2024, Molecular Catalysis.

A combination of DFT and kMC to solve two engineering problems in the production of vinyl acetate

Yingzhe Yu, Minhua Zhang, Xinyue Guan, 2024, Molecular Catalysis.

Theoretical insights into the dissociation and oxidation of ethylene during vinyl acetate synthesis

Yingzhe Yu, Minhua Zhang, Xinyue Guan, 2023, Molecular Catalysis.

A density functional theory study on the effect of acetylene on vinyl acetate synthesis from acetoxylation of ethylene over Pd-Au catalysts

Yingzhe Yu, M. Zhang, Jichen Wu, 2022, Applied Surface Science.