Publication Combinations

Publication combinations

Collection of Publication

Here is the research we published, divided by public year.

2024 Collection

Jun 25, 2024

What drives the heterogeneous interdiffusion in the Li-Si interfacial region of Si anodes: the Li flux or the Si flux?

npj computational materials

Fangjia Fu, Xiaoxu Wang, Taiping Hu, Guobing Zhou, Fu-Zhi Dai* and Shenzhen Xu*
See Origin

Jun 10, 2024

Investigation of Pyridine as a Cocatalyst for the CO2 Reduction Reaction on the Cu2O Cathode Surface

ACS Catalysis

Linhan Xu and Shenzhen Xu*
See Origin

Apr 21, 2024

Impact of Amorphous LiF Coating Layers on Cathode-Electrolyte Interfaces in Solid-State Batteries

Advanced Functional Materials

Taiping Hu, Linhan Xu, Fuzhi Dai, Guobing Zhou, Fangjia Fu, Xiaoxu Wang, Linsen Li, Xinping Ai, Shenzhen Xu*
See Origin

2023 Collection

Nov 16, 2023

Unraveling the Complete Mechanism of the NH3-Selective Catalytic Reduction of NO over CeO2

ACS Catalysis

Weibin Chen and Shenzhen Xu*
See Origin

Oct 4, 2023

Constrained Hybrid Monte Carlo Sampling Made Simple for Chemical Reaction Simulations

Journal of Chemical Theory and Computation

Bin Jin, Taiping Hu, Kuang Yu, and Shenzhen Xu*
See Origin

Jul 31, 2023

First-Principles Investigation of the Unique Role of Anode Surfaces in Organic Electrochemical Reactions

The Journal of Physical Chemistry C

Jianning Zhang, Xin Wen, Weibin Chen, Lei Zhang, Fanyang Mo*, and Shenzhen Xu*
See Origin

Jul 3, 2023

Theoretical Study on Improving the CO2 Reduction Performance of the Cu2ZnGeS4 Photoelectrode via Doping and Surface Engineering

The Journal of Physical Chemistry C

Menglin Sun and Shenzhen Xu*
See Origin

May 24, 2023

Unraveling the Atomic‐scale Mechanism of Phase Transformations and Structural Evolutions during (de)Lithiation in Si Anodes

Advanced Functional Materials

Fangjia Fu, Xiaoxu Wang, Linfeng Zhang, Yifang Yang, Jianhui Chen, Bo Xu, Chuying Ouyang*, Shenzhen Xu*, Fu-Zhi Dai*, and Weinan E
See Origin

Apr 10, 2023

Unraveling the Dynamic Correlations between Transition Metal Migration and the Oxygen Dimer Formation in the Highly Delithiated LixCoO2 Cathode

The Journal of Physical Chemistry Letters

Taiping Hu, Fu-zhi Dai, Guobing Zhou, Xiaoxu Wang, and Shenzhen Xu*
See Origin

Mar 15, 2023

Investigation of intrinsic catalytic mechanism for NO oxidation to NO2 in CeO2 used for NO removal

Chemical Engineering Journal

Weibin Chen, Xidong Wang*, Shenzhen Xu*
See Origin

Jan 19, 2023

Molecular dynamics simulations of the Li-ion diffusion in the amorphous solid electrolyte interphase

Chinese Chemical Letters

Jianxin Tian, Taiping Hu, Shenzhen Xu*, and Rui Wen*
See Origin

2022 Collection

Dec 28, 2022

Impact of the Local Environment on Li Ion Transport in Inorganic Components of Solid Electrolyte Interphases

Journal of the American Chemical Society

Taiping Hu, Jianxin Tian, Fuzhi Dai, Xiaoxu Wang, Rui Wen*, and Shenzhen Xu*
See Origin

Nov 29, 2022

Kinetic and Thermodynamic Insights into Advanced Energy Storage Mechanisms of Battery-Type Bimetallic Metal–Organic Frameworks

Chemistry of Materials

Yanqun Tang, Zitao Zhang, Yongkang Jin, Song Gao*, Dubin Huang, Shenzhen Xu*, and Ruqiang Zou*
See Origin

Sep 4, 2022

CoSe2 Subnanometer Belts with Se Vacancies and Ni Substitutions for the Efficient Electrosynthesis of High-Value-Added Nitriles Coupled with Hydrogen Generation

ACS Catalysis

Lingyou Zeng, Weibin Chen, Qinghua Zhang, Shenzhen Xu*, Weiyu Zhang, Fan Lv, Qizheng Huang, Shuguang Wang, Kun Yin, Menggang Li, Yong Yang, Lin Gu, and Shaojun Guo*
See Origin

Jun 15, 2022

Unveiling the nanoalloying modulation on hydrogen evolution activity of ruthenium-based electrocatalysts encapsulated by B/N co-doped graphitic nanotubes

Applied Catalysis B: Environmental

Tianjie Qiu, Jinqian Cheng, Zibin Liang, Hassina Tabassum, Jinming Shi, Yanqun Tang, Wenhan Guo, Lirong Zheng, Song Gao*, Shenzhen Xu*, and Ruqiang Zou*
See Origin

Jun 10, 2022

A caveat of the charge-extrapolation scheme for modeling electrochemical reactions on semiconductor surfaces: an issue induced by a discontinuous Fermi level change

Physical Chemistry Chemical Physics

Yu Liu, Xinlong Ding, Mohan Chen, and Shenzhen Xu*
See Origin

2021 Collection

Sep 22, 2021

Surface-functionalized boron arsenide as a photocathode for CO2 reduction

The Journal of Physical Chemistry C

Shenzhen Xu* and Bai Song
See Origin

Jan 12, 2021

CO2 Photoelectrochemical Reduction Catalyzed by a GaP(001) Photoelectrode

ACS Catalysis

Shenzhen Xu and Emily A. Carter*
See Origin

2020 Collection

Feb 25, 2020

Oxidation State of GaP Photoelectrode Surfaces under Electrochemical Conditions for Photocatalytic CO2 Reduction

The Journal of Physical Chemistry B

Shenzhen Xu and Emily A. Carter*
See Origin

2019 Collection

Oct 28, 2019

Optimal functionalization of a molecular electrocatalyst for hydride transfer

Proceedings of the National Academy of Sciences

Shenzhen Xu and Emily A. Carter*
See Origin

May 30, 2019

Balancing competing reactions in hydride transfer catalysis via catalyst surface doping: the ionization energy descriptor

Journal of the American Chemical Society

Shenzhen Xu and Emily A. Carter*
See Origin

2018 Collection

Dec 18, 2018

Theoretical insights into heterogeneous (photo)electrochemical CO2 reduction

Chemical Reviews

Shenzhen Xu and Emily A. Carter*
See Origin

Nov 6, 2018

Why and How Carbon Dioxide Conversion to Methanol Happens on Functionalized Semiconductor Photoelectrodes

Journal of the American Chemical Society

Shenzhen Xu, Lesheng Li, and Emily A. Carter*
See Origin

Sep 24, 2018

Factors controlling oxygen interstitial diffusion in the Ruddlesden-Popper oxide La2-xSrxNiO4+𝜹

Chemistry of Materials

Shenzhen Xu, Ryan Jacobs, and Dane Morgan*
See Origin

Jun 14, 2018

2-pyridinide as an active catalytic intermediate for CO2 reduction on p-GaP photoelectrodes: lifetime and selectivity

Journal of the American Chemical Society

Shenzhen Xu and Emily A. Carter*
See Origin

2017 Collection

May 30, 2017

Ab-initio modeling of electrolyte molecule Ethylene Carbonate decomposition reaction on Li(Ni,Mn,Co)O2 cathode surface

ACS Applied Materials & Interfaces

Shenzhen Xu, Guangfu Luo, Ryan Jacobs, Shuyu Fang, Mahesh K. Mahanthappa, Robert J. Hamers, and Dane Morgan*
See Origin

Feb 24, 2017

Iron Partitioning between Ferropericlase and Bridgmanite in the Earth's Lower Mantle

Journal of Geophysical Research: Solid Earth

Shenzhen Xu, Jung-Fu Lin, and Dane Morgan*
See Origin

Jan 20, 2017

Nanoscale voltage enhancement at cathode interfaces in Li-ion batteries

Chemistry of Materials

Shenzhen Xu, Ryan Jacobs, Chris Wolverton, Thomas Kuech, and Dane Morgan*
See Origin

2015 Collection

Jul 7, 2015

Lithium transport through lithium-ion battery cathode coatings

Journal of Materials Chemistry A

Shenzhen Xu†, Ryan M. Jacobs†, Ha M. Nguyen†, Shiqiang Hao, Mahesh Mahanthappa, Chris Wolverton and Dane Morgan*
See Origin

Jan 1, 2015

Origin of Fe3+ in Fe-containing, Al-free mantle silicate perovskite

Earth and Planetary Science Letters

Shenzhen Xu, Sang-Heon Shim, and Dane Morgan*
See Origin