34. First-principles investigation of surface mechanochemistry of transition metal phosphides under oxygen and benzene atmospheres
Mehmet Gokhan Sensoy, Shihan Qin, Zhen Jiang, Maarten P. de Boer, Robert W. Carpick, and Andrew M. Rappe
Publications
33. Catalytic Promotion of Transition-Metal-Doped Graphene Cathodes in Li-CO2 Batteries
Peter P. Bazianos, Zhen Jiang, and Andrew M. Rappe
32. A Radical Mediator Layer on Composite Solid Polymer Electrolyte for Uniform Lithium Deposition
Chaoyan Zhang#, Zhen Jiang#, Yang Zhang, Andong Zhang, Peng Guo, Jianjun Song, Peng Zhang, and Chuan Shi (#: co-1st authors)
31. Covalent organic frameworks (COFs) as fast lithium-ion transport fillers for solid polymer electrolytes
Chaoyan Zhang#, Zhen Jiang#, Peng Guo, Jianjun Song, and Chuan Shi (#: co-1st authors)
30. The effects of polyolefin structure and source on pyrolysis-derived plastic oil composition
Jiayang Wu, Zhen Jiang, Victor S. Cecon, Greg Curtzwiler, Keith Vorst, Manos Mavrikakis, and George W. Huber
29. Catalytic Production of &-Valerolactone (DVL) from Biobased 2-Hydroxytetrahydropyran (HTHP)–Combined Experimental and Modeling Study
Raka G Dastidar, Javier E Chavarrio, Zhen Jiang, Daniel J McClelland, Manos Mavrikakis, and George W. Huber
28. Hydrogenation of Covalent Organic Framework Induces Conjugated π Bonds and Electronic Topological Transition to Enhance Hydrogen Evolution Catalysis
Tan Zhang#, Zhen Jiang#, and Andrew M. Rappe (#: equal contribution)
27. Regulating lithium-ion transport route via adjusting lithium-ion affinity in solid polymer electrolyte
Lei Zhang, Shuang Cao, Yang Zhang, Chaoyan Zhang, Peng Guo, Jianjun Song, Zhen Jiang*, and Chuan Shi* (*: corresponding authors)
26. Vapor-Phase Synthesis of Electrocatalytic Covalent Organic Frameworks
Syed Mohamed, Shahriar Namvar, Tan Zhang, Hessam Shahbazi, Zhen Jiang, Andrew M. Rappe, Amin Salehi-Khojin, and Siamak Nejati
25. Porous garnet as filler of solid polymer electrolytes to enhance the performance of solid-state lithium batteries
Yang Zhang, Lei Zhang, Peng Guo, Chaoyan Zhang, Xiaochuan Ren, Zhen Jiang*, Jianjun Song*, and Chuan Shi* (*: corresponding authors)
24. Topological Bismuth (1-10) Facet for Efficient Oxygen Reduction Cathode in Fuel Cells
Zhen Jiang#, Tan Zhang#, and Andrew M. Rappe (#: equal contribution)
23. Imidazolium-functionalized Mo3P nanoparticles with an ionomer coating for electrocatalytic reduction of CO2 to propane
Mohammadreza Esmaeilirad#, Zhen Jiang#, Ahmad M. Harzandi, Alireza Kondori, Mahmoud Tamadoni Saray, Carlo U Segre, Reza Shahbazian-Yassar, Andrew M. Rappe, and Mohammad Asadi (#: equal contribution)
22. Hydroformylation of pyrolysis oils to aldehydes and alcohols from polyolefin waste
Houqian Li, Jiayang Wu, Zhen Jiang, Jiaze Ma, Victor M. Zavala, Clark R. Landis, Manos Mavrikakis, and George W. Huber
21. Li iontronics in single-crystalline T-Nb2O5 thin films with vertical ionic transport channels
Hyeon Han#, Quentin Jacquet#, Zhen Jiang#, Farheen N. Sayed, Jae-Chun Jeon, Arpit Sharma, Aaron M. Schankler, Arvin Kakekhani, Holger L. Meyerheim, Jucheol Park, Sang Yeol Nam, Kent J. Griffith, Laura Simonelli, Andrew M. Rappe, Clare P. Grey & Stuart S. P. Parkin (#: equal contribution)
20. Mechanism of Water Dissociation with Electric Field and Graphene Oxide Catalyst in Bipolar Membrane
Zhen Jiang, Peter P. Bazianos, Zhifei Yan, and Andrew M. Rappe
19. Revealing the mechanisms of lithium-ion transport and conduction in composite solid polymer electrolytes
Chuan Shi, Jianjun Song, Yang Zhang, Xiuting Wang, Zhen Jiang*, Tong Sun*, and Jinbao Zhao* (*: corresponding authors)
18. Uncovering the Electrolyte-Dependent Transport Mechanism of LiO2 in Lithium-Oxygen Batteries
(Cover Art Invitation)
Zhen Jiang, and Andrew M. Rappe
17. Ab-Initio Insight into Electrolysis of Water on Basal and Edge (Fullerene C20) Surfaces of 4 Å Single-Walled Carbon Nanotubes
Zhen Jiang*, Nadia N. Intan, and Qiong Yang (*: corresponding authors)
16. Ion Flux Self-Regulation Strategy with a Volume-Responsive Separator for Lithium Metal Batteries
Chuan Shi, Lei Zhang, Xiu Ting, Tong Sun*, Zhen Jiang*, and Jinbao Zhao* (*: corresponding authors)
15. One-Step Synthesis of Cationic Covalent Organic Frameworks
Syed Mohamed, Tan Zhang, Zhen Jiang, Andrew M. Rappe, and Siamak Nejati
14. Structure, Diffusion, and Stability of Lithium Salts in Aprotic Dimethyl Sulfoxide and Acetonitrile Electrolytes
Zhen Jiang, and Andrew M. Rappe
13. Mechanistic Study of the Li–Air Battery with a Co3O4 Cathode and Dimethyl Sulfoxide Electrolyte
Zhen Jiang, and Andrew M. Rappe
12. Stromataxic Stabilization of a Metastable Layered ScFeO3 Polymorph
Lauren M Garten#, Zhen Jiang#, Hanjong Paik, John D Perkins, Arvin Kakekhani, Ruixiang Fei, Don J Werder, Megan E Holtz, David S Ginley, Andrew M. Rappe, Darrell G Schlom, Margo L Staruch (#: equal contribution)
11. Kinetically Stable Oxide Overlayers on Tri-Molybdenum Phosphide (Mo3P) Nanoparticles Enabling Lithium-Air Batteries with Low Overpotentials and Long Cycle Life
Alireza Kondori, Zhen Jiang, Mohammadreza Esmaeilirad, Arvin Kakekhani, Kamil Kucuk, Pablo Navarro Munoz Delgado, Sadaf Maghsoudipour, John Hayes, Christopher S Johnson, Carlo U Segre, Reza Shahbazian-Yassar, Andrew M. Rappe, and Mohammad Asadi
10. Electrocatalytic Activity of Oxygen Functionalized Carbon Electrodes for All-Vanadium Redox Flow Batteries from Free Energy Calculations
Zhen Jiang, and Vitaly Alexandrov
9. Energy Decomposition Analysis Based on Broken Symmetry Unrestricted Density Functional Theory
Zhen Tang, Zhen Jiang, Hongjiang Chen, Peifeng Su, and Wei Wu
8. Enhancing Oxygen Electroreduction Activity of Single-Site Fe-N-C Catalysts by a Metal Support.
Zhen Jiang, and Vitaly Alexandrov
7. Ferroelectric Tunnel Junctions Enhanced by a Polar Oxide Barrier Layer.
Qiong Yang, Lingling Tao, Yichun Zhou, Ming Li, Zhen Jiang, Evgeny Y. Tsymbal, and Vitaly Alexandrov
6. Magnetoelectric Effect at the Ni/HfO2 Interface Induced by Ferroelectric Polarization.
Qiong Yang, Lingling Tao, Zhen Jiang, Yichun Zhou, Evgeny Y. Tsymbal, and Vitaly Alexandrov
5. Mechanistic Theoretical Investigation of Self-Discharge Reactions in a Vanadium Redox Flow Battery
Zhen Jiang, Konstantin Klyukin, and Vitaly Alexandrov
4. Ab Initio Metadynamics Study of VO2+/VO2+ Redox Reaction Mechanism at the Graphite Edge-Water Interface
Zhen Jiang, Konstantin Klyukin, and Vitaly Alexandrov
3. First-Principles Study of Adsorption-Desorption Kinetics of Aqueous V2+/V3+ Redox Species on Graphite in a Vanadium Redox Flow Battery
Zhen Jiang, Konstantin Klyukin, and Vitaly Alexandrov
2. Structure, Hydrolysis and Diffusion of Aqueous Vanadium Ions from Car-Parrinello Molecular Dynamics.
Zhen Jiang, Konstantin Klyukin, and Vitaly Alexandrov
1. An energy decomposition scheme based on the generalized Kohn-Sham Scheme
Peifeng Su, Zhen Jiang, Zuochang Chen, and Wei Wu