X. Nie

发表

Recent Advances in Carbon Dioxide Hydrogenation to Methanol via Heterogeneous Catalysis.

Xiao Jiang, Xinwen Guo, Chunshan Song, 2020, Chemical reviews.

Computational and experimental identification of strong synergy of the Fe/ZnO catalyst in promoting acetic acid synthesis from CH4 and CO2.

Xinwen Guo, X. Nie, Jingguang G. Chen, 2020, Chemical Communications.

CO2 hydrogenation to methanol on Pd Cu bimetallic catalysts with lower metal loadings

Krista S. Walton, Xiao Jiang, Xinwen Guo, 2019, Catalysis Communications.

Low Pressure CO2 Hydrogenation to Methanol over Gold Nanoparticles Activated on a CeO(x)/TiO2 Interface.

Ping Liu, X. Nie, Jingguang G. Chen, 2015, Journal of the American Chemical Society.

Reaction mechanisms of CO2 electrochemical reduction on Cu(111) determined with density functional theory

Michael J. Janik, A. Asthagiri, X. Nie, 2014 .

Insight into Acetic Acid Synthesis from the Reaction of CH4 and CO2

X. Nie, Jingguang G. Chen, Chunyan Tu, 2021, ACS Catalysis.

Synthesis of Diethyl Toluene Diamine by Zeolite-Catalyzed Ethylation of 2,4-Toluene Diamine

Xinwen Guo, Min Liu, X. Nie, 2015 .

Cu cluster deposition on ZnO101¯0: Morphology and growth mode predicted from molecular dynamics simulations

T. Liang, S. Sinnott, S. Phillpot, 2014 .

3D Porous Pyramid Heterostructure Array Realizing Efficient Photo‐Electrochemical Performance

Licheng Sun, X. Nie, Jungang Hou, 2019, Advanced Energy Materials.

Mechanistic investigation of propylene epoxidation with H2O2 over TS-1: Active site formation, intermediate identification, and oxygen transfer pathway

Xinwen Guo, Chunshan Song, X. Nie, 2017 .

Brønsted acid-catalyzed tert-butylation of phenol, o-cresol and catechol: A comparative computational study

Xinwen Guo, X. Nie, C. Song, 2010 .

Photocatalytic Chemoselective Transfer Hydrogenation of Quinolines to Tetrahydroquinolines on Hierarchical NiO/In2O3–CdS Microspheres

Zhongkui Zhao, X. Nie, Zhe Sun, 2021 .

Electrochemical Properties of Mn-Doped Nanosphere LiFePO4

X. Nie, J. Xiong, 2021, JOM.

The promoting effects of alkali metal oxide in side-chain alkylation of toluene with methanol over basic zeolite X

Xinwen Guo, Chunshan Song, Min Liu, 2016 .

Visible-light-driven methane formation from CO2 in hydrous solution with a dinuclear nickel catalyst

Fenglin Liu, Ran Liu, X. Nie, 2020 .

Mechanistic Insight into the Promotional Effect of CO2 on Propane Aromatization over Zn/ZSM-5

Xinwen Guo, X. Nie, C. Song, 2022, Industrial & Engineering Chemistry Research.

Crystallographic Dependence of Co2 Hydrogenation Pathways Over Hcp-Co and Fcc-Co Catalysts

Wenhui Li, Xinwen Guo, Xiangguang Kong, 2022, SSRN Electronic Journal.

Two-dimensional Janus heterostructures for superior Z-scheme photocatalytic water splitting

Licheng Sun, X. Nie, Jungang Hou, 2019, Nano Energy.

Tailoring Active Sites in Mesoporous Defect‐Rich NC/Vo‐WON Heterostructure Array for Superior Electrocatalytic Hydrogen Evolution

Licheng Sun, X. Nie, Jungang Hou, 2019, Advanced Energy Materials.

Computational Design of a CoCu-Modified Indium Oxide Catalyst Promoting CO2 Activation and Hydrogenation through Electronic Regulation

Zhongkui Zhao, X. Nie, Zhe Sun, 2022, Energy & Fuels.

Mechanistic Insight into Hydrocarbon Synthesis via CO2 Hydrogenation on χ-Fe5C2 Catalysts.

Haozhi Wang, Xinwen Guo, X. Nie, 2022, ACS applied materials & interfaces.

Single Atomic Cu-N2 Catalytic Sites for Highly Active and Selective Hydroxylation of Benzene to Phenol

Xinwen Guo, Zhongkui Zhao, X. Nie, 2019, iScience.

Mechanistic Insight into the Hydrodeoxygenation of Hydroquinone over Au/a-TiO2 Catalyst

Xinwen Guo, X. Nie, C. Song, 2021 .

Solvent-free oxidation of toluene to benzaldehyde using electron-rich Au clusters confined in Silicalite-1

Yuzhen Ge, X. Nie, Shufen Zhang, 2023, Chemical Engineering Journal.

Mechanistic Understanding of Alloy Effect and Water Promotion for Pd-Cu Bimetallic Catalysts in CO2 Hydrogenation to Methanol

Haozhi Wang, Xiao Jiang, Xinwen Guo, 2018 .

A computational study of adsorption and activation of CO2 and H2 over Fe(1 0 0) surface

Haozhi Wang, Xinwen Guo, Chunshan Song, 2016 .

Coke-resistant (Pt+Ni)/ZSM-5 Catalyst for Shape-selective Alkylation of Toluene with Methanol to Para-xylene

Xinwen Guo, X. Nie, C. Song, 2022, Chemical Engineering Science.

Design of highly stable metal/ZSM-5 catalysts for the shape-selective alkylation of toluene with methanol to para-xylene

Xinwen Guo, X. Nie, Hong Yang, 2022, Inorganic Chemistry Frontiers.

Mechanistic Insight into Propylene Epoxidation with H2O2 over TS-1: Effects of Zeolite Confinement and Solvent.

Xinwen Guo, X. Nie, C. Song, 2019, The journal of physical chemistry. B.

Selective electroreduction of CO2 to acetone by single copper atoms anchored on N-doped porous carbon

Haozhi Wang, Hongtao Yu, K. Zhao, 2020, Nature Communications.

A combined experimental and DFT study of H2O effect on In2O3/ZrO2 catalyst for CO2 hydrogenation to methanol

Krista S. Walton, Xiao Jiang, Jie Zhu, 2020 .

Recent advances in catalytic CO2 hydrogenation to alcohols and hydrocarbons

Wenhui Li, Xiao Jiang, Xinwen Guo, 2019, Advances in Catalysis.

Investigation on Cu2O Surface Reconstruction and Catalytic Performance of NH3-SCO by Experimental and DFT Studies

X. Nie, Hui Wang, Z. Qu, 2020, ACS Applied Energy Materials.

Theoretical study on alkylation of benzene with ethanol and ethylene over H-ZSM-5

Xinwen Guo, X. Nie, C. Song, 2009 .

A computational investigation of ring-shift isomerization of sym-octahydrophenanthrene to sym-octahydroanthracene catalyzed by acidic zeolites.

Xinwen Guo, X. Nie, C. Song, 2012, Physical chemistry chemical physics : PCCP.

Shape-Selective Methylation of 2-Methylnaphthalene with Methanol over H-ZSM-5 Zeolite: A Computational Study

Xinwen Guo, X. Nie, C. Song, 2012 .

Reaction mechanism of tert-butylation of phenol with tert-butyl alcohol over H-β zeolite: An ONIOM study

Xinwen Guo, X. Nie, C. Song, 2011 .

ZrO2 support imparts superior activity and stability of Co catalysts for CO2 methanation

Wenhui Li, Xiao Jiang, Zhongmin Liu, 2018 .

Mechanistic Insight into C–C Coupling over Fe–Cu Bimetallic Catalysts in CO2 Hydrogenation

Haozhi Wang, Xinwen Guo, X. Nie, 2017 .

Computational Investigation of Fe–Cu Bimetallic Catalysts for CO2 Hydrogenation

Haozhi Wang, Xinwen Guo, X. Nie, 2016 .

Comparative computational study of CO2 dissociation and hydrogenation over Fe-M (M = Pd, Ni, Co) bimetallic catalysts: The effect of surface metal content

Haozhi Wang, Xinwen Guo, Chunshan Song, 2019, Journal of CO2 Utilization.

Enhanced heterogeneous activation of peroxymonosulfate by Co and N codoped porous carbon for degradation of organic pollutants: the synergism between Co and N

Haozhi Wang, Xinwen Guo, Hongtao Yu, 2019, Environmental Science: Nano.

STM and DFT studies of CO2 adsorption on O-Cu(100) surface

Simuck F. Yuk, J. Gupta, A. Asthagiri, 2018, Surface Science.

Selectivity of CO(2) reduction on copper electrodes: the role of the kinetics of elementary steps.

A. Asthagiri, X. Nie, M. Janik, 2013, Angewandte Chemie.

Construction of atomically dispersed Cu-N4 sites via engineered coordination environment for high-efficient CO2 electroreduction

Ming X. Tan, X. Nie, Xiangcun Li, 2020 .

CO2-Assisted propane aromatization over phosphorus-modified Ga/ZSM-5 catalysts

X. Nie, Jingguang G. Chen, Chunhui Yang, 2020, Catalysis Science & Technology.

CO2-assisted Ethane Aromatization Over Zinc and Phosphorous Modified ZSM-5 Catalysts

X. Nie, Jingguang G. Chen, S. Senanayake, 2021, Applied Catalysis B: Environmental.

Mechanistic understanding of ethane dehydrogenation and aromatization over Zn/ZSM-5: effects of Zn modification and CO2 co-reactant

Haozhi Wang, Xinwen Guo, X. Nie, 2020, Catalysis Science & Technology.

Beyond d Orbits: Steering the Selectivity of Electrochemical CO2 Reduction via Hybridized sp Band of Sulfur‐Incorporated Porous Cd Architectures with Dual Collaborative Sites

Licheng Sun, X. Nie, Jungang Hou, 2020, Advanced Energy Materials.

Growth and Structure of Cu and Au on the Nonpolar ZnO(101̅0) Surface: STM, XPS, and DFT Studies

S. Sinnott, A. Asthagiri, X. Nie, 2013 .

DFT insight into the support effect on the adsorption and activation of key species over Co catalysts for CO2 methanation

Wenhui Li, Haozhi Wang, Xinwen Guo, 2018 .

Facet Dependence of CO2 Reduction Paths on Cu Electrodes

Michael J. Janik, A. Asthagiri, X. Nie, 2016 .

CO2 hydrogenation to methanol on Pd-Cu bimetallic catalysts: H2/CO2 ratio dependence and surface species

Xiao Jiang, Xinwen Guo, N. Koizumi, 2018, Catalysis Today.

Origin of Pd-Cu bimetallic effect for synergetic promotion of methanol formation from CO2 hydrogenation

Haozhi Wang, Xiao Jiang, Xinwen Guo, 2019, Journal of Catalysis.

Photo‐Electrochemical Performance: 3D Porous Pyramid Heterostructure Array Realizing Efficient Photo‐Electrochemical Performance (Adv. Energy Mater. 5/2020)

Licheng Sun, X. Nie, Jungang Hou, 2020 .

Metal single-site catalyst design for electrocatalytic production of hydrogen peroxide at industrial-relevant currents

Hongtao Yu, Shuo Chen, X. Nie, 2023, Nature Communications.

Computational identification of facet-dependent CO2 initial activation and hydrogenation over iron carbide catalyst

Xinwen Guo, X. Nie, C. Song, 2022, Journal of CO2 Utilization.

Surface phases of Cu2O(111) under CO2 electrochemical reduction conditions

A. Asthagiri, X. Nie, M. Janik, 2014 .

Tandem reactions of CO2 reduction and ethane aromatization.

X. Nie, Jingguang G. Chen, Ji Hoon Lee, 2019, Journal of the American Chemical Society.

Computational Understanding of Fe-Pt Synergy in Promoting Guaiacol Hydrodeoxygenation

Xinwen Guo, X. Nie, C. Song, 2021, Surface Science.

Computational Insights into the Hydrodeoxygenation of Phenolic Compounds over Pt–Fe Catalysts

Xinwen Guo, X. Nie, C. Song, 2021, The Journal of Physical Chemistry C.

Adsorption, Dissociation, and Spillover of Hydrogen over Au/TiO2 Catalysts: The Effects of Cluster Size and Metal–Support Interaction from DFT

Xinwen Guo, Chunshan Song, X. Nie, 2018, The Journal of Physical Chemistry C.

Theoretical insight on reactivity trends in CO2 electroreduction across transition metals

A. Asthagiri, X. Nie, M. Janik, 2016 .

Stabilizing Co2C with H2O and K promoter for CO2 hydrogenation to C2+ hydrocarbons

Xinwen Guo, X. Nie, C. Song, 2023, Science Advances.

Effect of surface structure and Pd doping of Fe catalysts on the selective hydrodeoxygenation of phenol

Haozhi Wang, Xinwen Guo, Chunshan Song, 2020 .

Poisoning effect of adsorbed CO during CO2 electroreduction on late transition metals.

A. Asthagiri, X. Nie, M. Janik, 2014, Physical chemistry chemical physics : PCCP.

DFT insight into the effect of potassium on the adsorption, activation and dissociation of CO2 over Fe-based catalysts.

Haozhi Wang, Xinwen Guo, X. Nie, 2018, Physical chemistry chemical physics : PCCP.

Hierarchical superhydrophilic/superaerophobic CoMnP/Ni2P nanosheet-based microplate arrays for enhanced overall water splitting

Zhongkui Zhao, X. Nie, Zhe Sun, 2021, Journal of Materials Chemistry A.

Facet effect on CO2 adsorption, dissociation and hydrogenation over Fe catalysts: Insight from DFT

Haozhi Wang, Xinwen Guo, Chunshan Song, 2018, Journal of CO2 Utilization.

Engineering Morphology and Ni Substitution of NixCo3–xO4 Spinel Oxides to Promote Catalytic Combustion of Ethane: Elucidating the Influence of Oxygen Defects

Kevin J. Smith, Xinwen Guo, X. Nie, 2023, ACS Catalysis.

Stabilizing Co2C with H2O and K promoter for CO2 hydrogenation to C2+ hydrocarbons

Xinwen Guo, X. Nie, C. Song, 2023, Science advances.

Molecular dynamics simulations of CO2 reduction on Cu(111) and Cu/ZnO(10 1¯ 0) using charge optimized many body potentials

T. Liang, S. Sinnott, A. Asthagiri, 2014 .

A First-Principles Study of the Role of Quaternary-N Doping on the Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites

Elizabeth J. Biddinger, U. Ozkan, A. Asthagiri, 2013, Topics in Catalysis.

Computational Prediction of Metal Organic Frameworks Suitable for Molecular Infiltration as a Route to Development of Conductive Materials.

D. Sholl, A. Kulkarni, X. Nie, 2015, The journal of physical chemistry letters.

Efficient Electronic Modulation of g-C 3 N 4 Photocatalyst by Implanting Atomically Dispersed Ag 1 -N 3 for Extremely High Hydrogen Evolution Rates

Zhongkui Zhao, Guanchao Wang, X. Nie, 2021, CCS Chemistry.

Methane transformation into light olefins using methanol as co-reactant over Mo/HZSM-5

X. Nie, C. Song, Hong-Ling Yang, 2023, Chemical Engineering Science.

Unraveling the mechanism of ethane oxidative dehydrogenation and the important role of CO2 over Pt-Zn/ZSM-5 catalysts

X. Nie, C. Song, Huahua Fan, 2024, Applied Catalysis A: General.

Propane dehydro-aromatization reaction over PtFe@S-1 coupling with Zn/ZSM-5 tandem catalysts: the role of Zn species

X. Nie, G. A. Ocran, Huahua Fan, 2024, Frontiers of Chemical Science and Engineering.

Computational Insight into Methane–Methanol Coupling and Aromatization over Metal-Modified ZSM-5: From Mechanism to Catalyst Screening

X. Nie, C. Song, Sirui Liu, 2024, Chem & Bio Engineering.

Mechanistic Understanding of Hydrocarbon Formation from CO2 Hydrogenation over χ-Fe5C2(111) and the Effect of H2O and Transition Metal Addition

Xinwen Guo, X. Nie, C. Song, 2023, Energy & Fuels.