Xin Xu

发表

Theoretical studies on thermochemistry for conversion of 5-chloromethylfurfural into valuable chemicals.

Igor Ying Zhang, Yong-wang Li, Gang Liu, 2011, The journal of physical chemistry. A.

An accurate single descriptor for ion–π interactions

Jinyang Xi, Xin Xu, Zhangyun Liu, 2020, National science review.

Theoretical studies on Grignard reagent formation: radical mechanism versus non-radical mechanism.

G. Fu, Zhe-ning Chen, Xin Xu, 2012, Organic & biomolecular chemistry.

How to prepare a chiral Grignard reagent: a theoretical proposal.

G. Fu, Zhe-ning Chen, Xin Xu, 2011, Organic letters.

Boosting CO2 Electroreduction to CH4 via Tuning Neighboring Single-Copper Sites

Gengfeng Zheng, T. Sham, Zhiqiang Wang, 2020 .

Efficient Electrocatalytic CO2 Reduction to C2+ Alcohols at Defect-Site-Rich Cu Surface

Hao Shen, Gengfeng Zheng, T. Sham, 2021 .

Selective CO-to-acetate electroreduction via intermediate adsorption tuning on ordered Cu–Pd sites

Hao Zhang, Gengfeng Zheng, Jun Luo, 2020, Nature Catalysis.

Understanding the Nonplanarity in Aromatic Metallabenzenes: A σ-Control Mechanism.

Igor Ying Zhang, G. Fu, Zhe-ning Chen, 2018, Inorganic chemistry.

Uncovering strong π-metal interactions on Ag and Au nanosurfaces under ambient conditions via in-situ surface-enhanced Raman spectroscopy

S. Bell, Xin Xu, Xinyuan Li, 2022, Chem.

Ab initio calculations of F-19 NMR chemical shielding for alkali-metal fluorides

S. Cai, Zhong Chen, H. Wan, 1999 .

Selective Catalytic Dehydrogenative Oxidation of Bio‐Polyols to Lactic Acid

J. Clark, T. Tu, S. Duan, 2020, Angewandte Chemie.

Selective Catalytic Dehydrogenative Oxidation of Bio-polyols to Lactic Acid.

J. Clark, T. Tu, S. Duan, 2020, Angewandte Chemie.

Atomic Editing Copper Twin Boundary for Precision CO2 Reduction

Can Tang, Zhengzong Sun, Xin Xu, 2022, ACS Catalysis.

Selective Transformation of Vicinal Glycols to α-Hydroxy Acetates in Water via a Dehydrogenation and Oxidization Relay Process by a Self-Supported Single-Site Iridium Catalyst

T. Tu, Qingshu Zheng, Zhe-ning Chen, 2021, ACS Catalysis.

Uncovering strong p -metal interactions on Ag and Au nanosurfaces under ambient conditions via in situ surface-enhanced Raman spectroscopy

S. Bell, Xin Xu, Xinyuan Li, 2022 .

Modular Access to Quaternary α-Hydroxyl Acetates by Catalytic Cross-Coupling of Alcohols

Qingshu Zheng, Zhe-ning Chen, Xin Xu, 2023, ACS Catalysis.

Selective mono-N-methylation of nitroarenes with methanol catalyzed by atomically dispersed NHC-Ir solid assemblies

T. Tu, Qingshu Zheng, Zhe-ning Chen, 2020 .

Iridium-Catalyzed Selective Cross-Coupling of Ethylene Glycol and Methanol to Lactic Acid.

T. Tu, Qingshu Zheng, Zhe-ning Chen, 2020, Angewandte Chemie.

Iridium‐Catalyzed Selective Cross‐Coupling of Ethylene Glycol and Methanol to Lactic Acid

T. Tu, Qingshu Zheng, Zhe-ning Chen, 2020 .

Highly Efficient and Selective N-Formylation of Amines with CO2 and H2 Catalyzed by Porous Organometallic Polymers.

J. Clark, T. Tu, Qingshu Zheng, 2020, Angewandte Chemie.

Single-Atomic Cu with Multiple Oxygen Vacancies on Ceria for Electrocatalytic CO2 Reduction to CH4

Gengfeng Zheng, Yonghua Du, Xin Xu, 2018, ACS Catalysis.

ESI-MS and theoretical study on the coordination structures and reaction modes of the diperoxovanadate complexes containing histidine-like ligands

Zhong Chen, Xian-yong Yu, Xin Xu, 2008 .

Pyridinic Nitrogen Modification for Selective Acetylenic Homocoupling on Au(111).

S. Duan, Xin Xu, L. Chi, 2023, Journal of the American Chemical Society.

Doping strain induced bi-Ti3+ pairs for efficient N2 activation and electrocatalytic fixation

Gengfeng Zheng, Jun Luo, Xin Xu, 2019, Nature Communications.

Accurate descriptions of molecule-surface interactions in electrocatalytic CO2 reduction on the copper surfaces

Xin Xu, Zhangyun Liu, Zheng Chen, 2023, Nature Communications.

Coverage-Dependent Microkinetics in Heterogeneous Catalysis Powered by the Maximum Rate Analysis

Xin Xu, Zhangyun Liu, Zheng Chen, 2021, ACS Catalysis.

A Good Prediction of the Overall Reaction Rate May Not Mean a Correct Description of the Reaction Kinetics: A Case Study for CO Oxidation on RuO2(110) Surfaces

Tonghao Shen, Xin Xu, He Wang, 2021 .

Bistability for CO Oxidation: An Understanding from Extended Phenomenological Kinetics Simulations

S. Duan, Tonghao Shen, Xin Xu, 2019, ACS Catalysis.

Beyond Mean-Field Microkinetics: Toward Accurate and Efficient Theoretical Modeling in Heterogeneous Catalysis

N. Su, S. Duan, Tonghao Shen, 2018 .

Involvement of the Unoccupied Site Changes the Kinetic Trend Significantly: A Case Study on Formic Acid Decomposition

Yuqi Yang, Tonghao Shen, Xin Xu, 2020 .

Dynamic and Intermediate-Specific Local Coverage Controls the Syngas Conversion on Rh(111) Surfaces: An Operando Theoretical Analysis

Xin Xu, Zhangyun Liu, Zheng Chen, 2021 .

The enhanced extended phenomenological kinetics method to deal with timescale disparity problem among different reaction pathways

Xin Xu, Chen Ding, Jingwei Weng, 2020, J. Comput. Chem..

Doping strain induced bi-Ti3+ pairs for efficient N2 activation and electrocatalytic fixation

Gengfeng Zheng, Jun Luo, Xin Xu, 2019, Nature Communications.

Theory-Guided Design of Anode Catalysts for Hydrogenous Liquid Fuels

Yongyao Xia, Xin Xu, Renhe Wang, 2020 .

A General Framework of Scanning Tunneling Microscopy Based on Bardeen’s Approximation for Isolated Molecules

S. Duan, Guangjun Tian, Xin Xu, 2022, JACS Au.

Dynamic evolution of the active center driven by hemilabile coordination in Cu/CeO2 single-atom catalyst

Xin Xu, Zhangyun Liu, Zheng Chen, 2023, Nature communications.

General approach to surface-accessible plasmonic Pickering emulsions for SERS sensing and interfacial catalysis

Xin Xu, Ziwei Ye, Chunchun Li, 2023, Nature Communications.

Pb-rich Cu grain boundary sites for selective CO-to-n-propanol electroconversion

Chunyu Cui, Qisheng Yan, Liqiang Zhang, 2023, Nature communications.

Efficient Epoxidation over Faujasite Zeolites: Unprecedented O2 Cooperative Activation by Co(II)–Ba(II) Cation Pair Sites Confined in the Supercage

Yahong Zhang, Xin Xu, Zhangyun Liu, 2023, ACS Catalysis.

Unveiling the State Transition Mechanisms of Ras Proteins through Enhanced Sampling and QM/MM Simulations.

Xin Xu, Juanxian Zeng, Fei Xia, 2024, The journal of physical chemistry. B.

Accurate descriptions of molecule-surface interactions for understanding CO2 capture by MgO-based sorbents in wet conditions

Xin Xu, Zhangyun Liu, Zheng Chen, 2023, Carbon Capture Science & Technology.

High-Power CO2-to-C2 Electroreduction on Ga-Spaced, Square-like Cu Sites.

Xin Xu, Zheng Chen, Chen Peng, 2023, Journal of the American Chemical Society.

Accurate Structural Elucidation of Samoquasine A and an Unknown Homologue Using a Computation-Based Machine Learning Protocol.

Xin Xu, Anan Wu, Qiwen Chen, 2024, The journal of physical chemistry. A.