papers

Please find more papers from Google Scholar. (* Corresponding author, # Equally contributed)

2024

  1. Batteries
    Miscibility of Li4GeO4 into Li3 PS4 Solid Electrolytes from First-Principles Methods
    Yan Li, Zeyu Deng, Chuyang Chen, and Pieremanuele Canepa
    Chem. Mater., 2024, DOI: 10.1021/acs.chemmater.4c01267
  2. Batteries
    Thermodynamics of Sodium–Lead Alloys for Negative Electrodes from First-Principles
    Damien K. J. Lee, Zeyu Deng, Gopalakrishnan Sai Gautam, and Pieremanuele Canepa
    Chem. Mater, 2024, 36, 6831-6837
  3. Batteries
    Effects of Grain Boundaries and Surfaces on Electronic and Mechanical Properties of Solid Electrolytes
    Weihang Xie, Zeyu Deng, Zhengyu Liu, Theodosios Famprikis, Keith T. Butler, and Pieremanuele Canepa
    Adv. Energy Mater., 2024, DOI: 10.1002/aenm.202304230

2023

  1. Perovskites
    0D Pyramid-intercalated 2D Bimetallic Halides with Tunable Electronic Structures and Enhanced Emission under Pressure
    Yang Liu, Jiayuan Liang, Zeyu Deng*, Songhao Guo, Xiaoqin Ji, Congcong Chen, Pieremanuele Canepa, Xujie Lü, and 1 more author
    Angew. Chem. Int. Ed., 2023, 62, e202314977
  2. Batteries
    kMCpy: A python package to simulate transport properties in solids with kinetic Monte Carlo
    Zeyu Deng*, Tara P. Mishra, Weihang Xie, Daanyal Ahmed Saeed, Gopalakrishnan Sai Gautam, and Pieremanuele Canepa
    Comput. Mater. Sci., 2023, 229, 112394
  3. ALF
    Hydrogen Storage with Aluminum Formate, ALF: Experimental, Computational, and Technoeconomic Studies
    Hayden A Evans, Taner Yildirim, Peng Peng, Yongqiang Cheng, Zeyu Deng, Qiang Zhang, Dinesh Mullangi, Dan Zhao, and 3 more authors
    J. Am. Chem. Soc., 2023, 145, 22150–22157
  4. Batteries
    Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes
    Ziliang Wang, Tara P Mishra, Weihang Xie, Zeyu Deng, Gopalakrishnan Sai Gautam, Anthony K Cheetham, and Pieremanuele Canepa
    ACS Mater. Lett., 2023, 5, 2499–2507
  5. Batteries
    On the Active Components in Crystalline Li–Nb–O and Li–Ta–O Coatings from First Principles
    Hengning Chen, Zeyu Deng, Yuheng Li, and Pieremanuele Canepa
    Chem. Mater., 2023, 35, 5657-5670
  6. MOF
    As-grown Miniaturized True Zero-order Waveplates Based on Low-dimensional Ferrocene Crystals
    Zhipeng Li, Xuezhi Ma, Fengxia Wei, Dapeng Wang, Zeyu Deng, Mengting Jiang, Arif M. Siddiquee, Kun Qi, and 7 more authors
    Adv. Mater., 2023, 35, 2302468
  7. ALF
    Exclusive Recognition of CO2 from Hydrocarbons by Aluminum Formate with Hydrogen-Confined Pore Cavities
    Zhaoqiang Zhang#, Zeyu Deng#, Hayden A. Evans, Dinesh Mullangi, Chengjun Kang, Shing Bo Peh, Yuxiang Wang, Craig M. Brown, and 4 more authors
    J. Am. Chem. Soc., 2023, 145, 11643-11649
  8. ALF
    Noncryogenic Air Separation Using Aluminum Formate Al(HCOO)3 (ALF)
    Dinesh Mullangi, Hayden A. Evans, Taner Yildirim, Yuxiang Wang, Zeyu Deng, Zhaoqiang Zhang, Thuc T. Mai, Fengxia Wei, and 6 more authors
    J. Am. Chem. Soc., 2023, 145, 9850–9856
  9. Organic
    Unraveling the charge transfer variation of tetrathiafulvalene-based organic crystals through fragment charge difference calculation
    Yakui Mu, Tan Wang, Zeyu Deng, Bun Chan, and Tiesheng Wang
    APL Mater., 2023, 11, 031104
  10. Perovskites
    Two-Dimensional Hybrid Dion–Jacobson Germanium Halide Perovskites
    Congcong Chen, Xin Zhao, Yaping Gong, Yang Liu, Zhongwei Chen, Luming Zhang, Jian Chen, Zeyu Deng, and 4 more authors
    Chem. Mater., 2023, 35, 3265–3275
  11. batteries
    Zirconia-free NaSICON solid electrolyte materials for sodium all-solid-state batteries
    Aaron Jue Kang Tieu, Eunike Mahayoni, Yuheng Li, Zeyu Deng, François Fauth, Jean-Noël Chotard, Vincent Seznec, Stefan Adams, and 2 more authors
    J. Mater. Chem. A, 2023, 11, 23233–23242
  12. Perovskites
    Achieving Near-unity Photoluminescence Quantum Yields in Organic-Inorganic Hybrid Antimony (III) Chlorides with the [SbCl5] Geometry
    Chen Sun, Zeyu Deng, Zhiyuan Li, Zhongwei Chen, Xuanyu Zhang, Jian Chen, Haipeng Lu, Pieremanuele Canepa, and 2 more authors
    Angew. Chem. Int. Ed., 2023, 62, e202216720

2022

  1. Perovskites
    Variable Temperature Behaviour of the Hybrid Double Perovskite MA2KBiCl6
    Fengxia Wei, Yue Wu, Shijing Sun, Zeyu Deng, Li Tian Chew, Baisong Cheng, Cheng Cheh Tan, Timothy J. White, and 1 more author
    Molecules, 2022, 28, 174
  2. Batteries
    Phase stability and sodium-vacancy orderings in a NaSICON electrode
    Ziliang Wang, Sunkyu Park, Zeyu Deng, Dany Carlier, Jean-Noël Chotard, Laurence Croguennec, Gopalakrishnan Sai Gautam, Anthony K. Cheetham, and 2 more authors
    J. Mater. Chem. A, 2022, 10, 209–217
  3. Batteries
    Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
    Zeyu Deng*, Tara P. Mishra, Eunike Mahayoni, Qianli Ma, Aaron Jue Kang Tieu, Olivier Guillon, Jean-Noël Chotard, Vincent Seznec, and 4 more authors
    Nat. Commun., 2022, 13, 4470
  4. ALF
    Aluminum formate, Al(HCOO)3 : An earth-abundant, scalable, and highly selective material for CO2 capture
    Hayden A. Evans#, Dinesh Mullangi#, Zeyu Deng#, Yuxiang Wang#, Shing Bo Peh#, Fengxia Wei, John Wang, Craig M. Brown, and 3 more authors
    Sci. Adv., 2022, 8, eade1473
  5. Perovskites
    Hybrid Germanium Bromide Perovskites with Tunable Second Harmonic Generation
    Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, and 3 more authors
    Angew. Chem. Int. Ed., 2022, 61, e202208875
  6. Batteries
    Towards autonomous high-throughput multiscale modelling of battery interfaces
    Zeyu Deng, Vipin Kumar, Felix T. Bölle, Fernando Caro, Alejandro A. Franco, Ivano E. Castelli, Pieremanuele Canepa, and Zhi Wei Seh
    Energy Environ. Sci., 2022, 15, 579–594
  7. Batteries
    Superionic Conduction in the Plastic Crystal Polymorph of Na4P2S6
    Tanja Scholz, Christian Schneider, Maxwell W. Terban, Zeyu Deng, Roland Eger, Martin Etter, Robert E. Dinnebier, Pieremanuele Canepa, and 1 more author
    ACS Energy Lett., 2022, 7, 1403–1411
  8. Batteries
    Crystal Structure of Na2V2(PO4)3, an Intriguing Phase Spotted in the Na3V2(PO4)3–Na1V2(PO4)3 System
    Sunkyu Park, Ziliang Wang, Zeyu Deng, Iona Moog, Pieremanuele Canepa, François Fauth, Dany Carlier, Laurence Croguennec, and 2 more authors
    Chem. Mater., 2022, 34, 451–462

2021

  1. Perovskites
    Slow carrier relaxation in tin-based perovskite nanocrystals
    Linjie Dai, Zeyu Deng, Florian Auras, Heather Goodwin, Zhilong Zhang, John C. Walmsley, Paul D. Bristowe, Felix Deschler, and 1 more author
    Nat. Photon., 2021, 15, 696–702
  2. InGaN
    Unlocking the origin of compositional fluctuations in InGaN light emitting diodes
    Tara P. Mishra, Govindo J. Syaranamual, Zeyu Deng*, Jing Yang Chung, Li Zhang, Sarah A. Goodman, Lewys Jones, Michel Bosman, and 3 more authors
    Phys. Rev. Mater., 2021, 5, 024605
  3. MOF
    Direct Pyrolysis of a Manganese–Triazolate Metal–Organic Framework into Air–Stable Manganese Nitride Nanoparticles
    Yating Hu, Changjian Li, Shibo Xi, Zeyu Deng, Ximeng Liu, Anthony K. Cheetham, and John Wang
    Adv. Sci., 2021, 8, 2003212

2020

  1. Batteries
    Phase Behavior in Rhombohedral NaSiCON Electrolytes and Electrodes
    Zeyu Deng*, Gopalakrishnan Sai Gautam, Sanjeev Krishna Kolli, Jean-Noël Chotard, Anthony K. Cheetham, Christian Masquelier, and Pieremanuele Canepa
    Chem. Mater., 2020, 32, 7908–7920
  2. ALF
  3. MOF
    Halogenated Metal–Organic Framework Glasses and Liquids
    Jingwei Hou, María Laura Ríos Gómez, Andraž Krajnc, Aoife McCaul, Shichun Li, Alice M. Bumstead, Adam F. Sapnik, Zeyu Deng, and 9 more authors
    J. Am. Chem. Soc., 2020, 142, 3880–3890

2019

  1. Perovskites
    Metal-free perovskites for non linear optical materials
    Thomas W. Kasel#, Zeyu Deng#, Austin M. Mroz#, Christopher H. Hendon, Keith T. Butler, and Pieremanuele Canepa
    Chem. Sci., 2019, 10, 8187–8194
  2. MOF
    Improving the Acidic Stability of Zeolitic Imidazolate Frameworks by Biofunctional Molecules
    Song Gao, Jingwei Hou, Zeyu Deng, Tiesheng Wang, Sebastian Beyer, Ana Guilherme Buzanich, Joseph J. Richardson, Aditya Rawal, and 7 more authors
    Chem, 2019, 5, 1597–1608
  3. NMR
    Ab initio computation for solid-state 31P NMR of inorganic phosphates: revisiting X-ray structures
    Kartik Pilar, Zeyu Deng, Molleigh B. Preefer, Joya A. Cooley, Raphaële Clément, Ram Seshadri, and Anthony K. Cheetham
    Phys. Chem. Chem. Phys., 2019, 21, 10070–10074
  4. Perovskites
    Enhanced visible light absorption for lead-free double perovskite Cs2AgSbBr6
    Fengxia Wei, Zeyu Deng, Shijing Sun, Noor Titan Putri Hartono, Hwee Leng Seng, Tonio Buonassisi, Paul D. Bristowe, and Anthony K. Cheetham
    Chem. Commun., 2019, 55, 3721–3724
  5. ALF
    Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure
    Hayden A. Evans#, Zeyu Deng#, Ines E. Collings, Yue Wu, Jessica L. Andrews, Kartik Pilar, Joshua M. Tuffnell, Guang Wu, and 5 more authors
    Chem. Commun., 2019, 55, 2964–2967
  6. Thesis
    Rational design of novel halide perovskites combining computations and experiments
    Zeyu Deng
    University of Cambridge, 2019, DOI: 10.17863/CAM.35247

2018

  1. Perovskites
    The competition between mechanical stability and charge carrier mobility in MA-based hybrid perovskites: insight from DFT
    Jung-Hoon Lee#, Zeyu Deng#, Nicholas C. Bristowe, Paul D. Bristowe, and Anthony K. Cheetham
    J. Mater. Chem. C, 2018, 6, 12252–12259
  2. Perovskites
  3. Perovskites
    Elastic properties and thermal expansion of lead-free halide double perovskite Cs2AgBiBr6
    Liyuan Dong, Shijing Sun, Zeyu Deng, Wei Li, Fengxia Wei, Yajun Qi, Yanchun Li, Xiaodong Li, and 2 more authors
    Comput. Mater. Sci., 2018, 141, 49–58

2017

  1. Perovskites
    Factors Influencing the Mechanical Properties of Formamidinium Lead Halides and Related Hybrid Perovskites
    Shijing Sun, Furkan H. Isikgor, Zeyu Deng, Fengxia Wei, Gregor Kieslich, Paul D. Bristowe, Jianyong Ouyang, and Anthony K. Cheetham
    ChemSusChem, 2017, 10, 3740–3745
  2. Perovskites
  3. Perovskites
    Variable temperature and high-pressure crystal chemistry of perovskite formamidinium lead iodide: a single crystal X-ray diffraction and computational study
    Shijing Sun, Zeyu Deng, Yue Wu, Fengxia Wei, Furkan Halis Isikgor, Federico Brivio, Michael W. Gaultois, Jianyong Ouyang, and 3 more authors
    Chem. Commun., 2017, 53, 7537–7540
  4. Perovskites
    Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH3NH3)2AgBiBr6
    Fengxia Wei, Zeyu Deng, Shijing Sun, Fenghua Zhang, Donald M. Evans, Gregor Kieslich, Satoshi Tominaka, Michael A. Carpenter, and 3 more authors
    Chem. Mater., 2017, 29, 1089–1094

2016

  1. Perovskites
  2. Perovskites
    The synthesis, structure and electronic properties of a lead-free hybrid inorganic-organic double perovskite (MA)2KBiCl6 (MA = methylammonium)
    Fengxia Wei, Zeyu Deng, Shijing Sun, Fei Xie, Gregor Kieslich, Donald M Evans, Michael A Carpenter, Paul D Bristowe, and 1 more author
    Mater. Horiz., 2016, 3, 328–332