Publications

My publications in reversed chronological order.

See Google Scholar for the latest list.

2024

  1. easyunfold: A Python package for unfolding electronic band structures
    Bonan Zhu, Seán R. Kavanagh, and David Scanlon
    Journal of Open Source Software, Jan 2024
  2. Discovery of multi-anion antiperovskites X6NFSn2 (X = Ca, Sr) as promising thermoelectric materials by computational screening
    Dan Han, Bonan Zhu, Zenghua Cai, and 6 more authors
    Matter, Jan 2024
  3. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
    Emanuele Bosoni, Louis Beal, Marnik Bercx, and 42 more authors
    Nature Reviews Physics, Jan 2024
  4. Structure and ionic conduction enhancement mechanisms at CeO2/SrTiO3 heterointerfaces
    Bonan Zhu, Georg Schusteritsch, Weiwei Li, and 4 more authors
    Applied Physics Reviews, Jun 2024
  5. doped: Python toolkit for robust and repeatable charged defect supercell calculations
    Seán R. Kavanagh, Alexander G. Squires, Adair Nicolson, and 6 more authors
    Journal of Open Source Software, Jun 2024

2023

  1. Highly cyclable voltage control of magnetism in cobalt ferrite nanopillars for memory and neuromorphic applications
    Muireann h-Óra, Aliona Nicolenco, P. Monalisha, and 6 more authors
    APL Materials, May 2023
  2. Emergent and robust ferromagnetic-insulating state in highly strained ferroelastic LaCoO3 thin films
    Dong Li, Hongguang Wang, Kaifeng Li, and 16 more authors
    Nature Communications, Jun 2023
  3. Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes
    Jiayi Cen, Bonan Zhu, Seán R. Kavanagh, and 2 more authors
    Journal of Materials Chemistry A, Jun 2023
  4. Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction
    Jiayi Cen, Bonan Zhu, and David O. Scanlon
    Journal of Physics: Energy, Jun 2023
  5. Developments and further applications of ephemeral data derived potentials
    Pascal T. Salzbrenner, Se Hun Joo, Lewis J. Conway, and 5 more authors
    The Journal of Chemical Physics, Oct 2023
  6. Accessible chemical space for metal nitride perovskites
    Bastien F. Grosso, Daniel W. Davies, Bonan Zhu, and 2 more authors
    Chemical Science, Aug 2023

2022

  1. Manipulating the metal-to-insulator transition and magnetic properties in manganite thin films via epitaxial strain
    Dong Li, Bonan Zhu, Dirk Backes, and 14 more authors
    Physical Review B, Apr 2022
  2. Predicting Lithium Iron Oxysulfides for Battery Cathodes
    Bonan Zhu, and David O. Scanlon
    ACS Applied Energy Materials, Jan 2022

2021

  1. Materials Informatics Reveals Unexplored Structure Space in Cuprate Superconductors
    Rhys E. A. Goodall, Bonan Zhu, Judith L. MacManus-Driscoll, and 1 more author
    Advanced Functional Materials, Jan 2021
  2. Common workflows for computing material properties using different quantum engines
    Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx, and 23 more authors
    npj Computational Materials, Aug 2021
  3. Perspectives for next generation lithium-ion battery cathode materials
    Samuel G. Booth, Alisyn J. Nedoma, Nirmalesh N. Anthonisamy, and 42 more authors
    APL Materials, Oct 2021
  4. Accelerating cathode material discovery through ab initio random structure searching
    Bonan Zhu, Ziheng Lu, Chris J. Pickard, and 1 more author
    APL Materials, Dec 2021
  5. Crystal Structure of Colloidally Prepared Metastable Ag2Se Nanocrystals
    Bryce A. Tappan, Bonan Zhu, Patrick Cottingham, and 3 more authors
    Nano Letters, Jul 2021
  6. Ab initio random structure searching for battery cathode materials
    Ziheng Lu, Bonan Zhu, Benjamin W. B. Shires, and 2 more authors
    The Journal of Chemical Physics, May 2021

2020

  1. Magnetic signatures of 120 K superconductivity at interfaces in La2CuO4+δ
    Eun-Mi Choi, Bonan Zhu, Ping Lu, and 4 more authors
    Nanoscale, Feb 2020
  2. Interface Engineered Room-Temperature Ferromagnetic Insulating State in Ultrathin Manganite Films
    Weiwei Li, Bonan Zhu, Qian He, and 11 more authors
    Advanced Science, Feb 2020
  3. Atomic-Scale Control of Electronic Structure and Ferromagnetic Insulating State in Perovskite Oxide Superlattices by Long-Range Tuning of BO6 Octahedra
    Weiwei Li, Bonan Zhu, Ruixue Zhu, and 11 more authors
    Advanced Functional Materials, Feb 2020
  4. Mapping Materials and Molecules
    Bingqing Cheng, Ryan-Rhys Griffiths, Simon Wengert, and 8 more authors
    Accounts of Chemical Research, Sep 2020
  5. Vertical Strain-Driven Antiferromagnetic to Ferromagnetic Phase Transition in EuTiO3 Nanocomposite Thin Films
    Yisong Lin, Eun-Mi Choi, Ping Lu, and 8 more authors
    ACS Applied Materials & Interfaces, Feb 2020
  6. Nanoengineering room temperature ferroelectricity into orthorhombic SmMnO 3 films
    Eun-Mi Choi, Tuhin Maity, Ahmed Kursumovic, and 9 more authors
    Nature Communications, May 2020
  7. Real-time in situ optical tracking of oxygen vacancy migration in memristors
    Giuliana Di Martino, Angela Demetriadou, Weiwei Li, and 7 more authors
    Nature Electronics, Nov 2020
  8. Revealing the Structure and Oxygen Transport at Interfaces in Complex Oxide Heterostructures via 17O NMR Spectroscopy
    Michael A. Hope, Bowen Zhang, Bonan Zhu, and 3 more authors
    Chemistry of Materials, Sep 2020
  9. Hyperspectral Imaging of Photonic Cellulose Nanocrystal Films: Structure of Local Defects and Implications for Self-Assembly Pathways
    Bonan Zhu, Villads E. Johansen, Gen Kamita, and 5 more authors
    ACS Nano, Nov 2020
  10. Efficient light-emitting diodes from mixed-dimensional perovskites on a fluoride interface
    Baodan Zhao, Yaxiao Lian, Linsong Cui, and 12 more authors
    Nature Electronics, Nov 2020

2019

  1. 3D strain-induced superconductivity in La2CuO4+δ using a simple vertically aligned nanocomposite approach
    Eun-Mi Choi, Angelo Di Bernardo, Bonan Zhu, and 12 more authors
    Science Advances, Apr 2019
  2. Determining interface structures in vertically aligned nanocomposite films
    Bonan Zhu, Georg Schusteritsch, Ping Lu, and 2 more authors
    APL Materials, Jun 2019

2018

  1. Voltage control of magnetic single domains in Ni discs on ferroelectric BaTiO3
    M. Ghidini, B. Zhu, R. Mansell, and 10 more authors
    Journal of Physics D: Applied Physics, May 2018

2016

  1. Highly photoluminescent copper carbene complexes based on prompt rather than delayed fluorescence
    Alexander S. Romanov, Dawei Di, Le Yang, and 7 more authors
    Chemical Communications, May 2016

2015

  1. Magnetoelectric imaging of multiferroic heterostructures (Presentation Recording)
    Massimo Ghidini, Arnaud Lesaine, Bonan Zhu, and 12 more authors
    In Spintronics VIII , Oct 2015