A up-to-date list of my publications can also be found on my Google Scholar page.
2023
- Salzbrenner, P. T., Joo, S. H., Conway, L. J., Cooke, P. I. C., Zhu, B., Matraszek, M. P., Witt, W. C., & Pickard, C. J. (2023). Developments and Further Applications of Ephemeral Data Derived Potentials. arXiv. https://doi.org/10.48550/arXiv.2306.06475
- Li, D., Wang, H., Li, K., Zhu, B., Jiang, K., Backes, D., Veiga, L. S. I., Shi, J., Roy, P., Xiao, M., Chen, A., Jia, Q., Lee, T.-L., Dhesi, S. S., Scanlon, D. O., MacManus-Driscoll, J. L., van Aken, P. A., Zhang, K. H. L., & Li, W. (2023). Emergent and robust ferromagnetic-insulating state in highly strained ferroelastic LaCoO3 thin films. Nature Communications, 14(1), 3638. https://doi.org/10.1038/s41467-023-39369-6
- Cen, J., Zhu, B., & Scanlon, D. O. (2023). Exploring battery cathode materials in the Li-Ni-O phase diagrams using structure prediction. Journal of Physics: Energy, 5(3), 035005. https://doi.org/10.1088/2515-7655/acdd9c
- Bosoni, E., Beal, L., Bercx, M., Blaha, P., Blügel, S., Bröder, J., Callsen, M., Cottenier, S., Degomme, A., Dikan, V., Eimre, K., Flage-Larsen, E., Fornari, M., Garcia, A., Genovese, L., Giantomassi, M., Huber, S. P., Janssen, H., Kastlunger, G., … Pizzi, G. (2023). How to verify the precision of density-functional-theory implementations via reproducible and universal workflows. arXiv. https://doi.org/10.48550/arXiv.2305.17274
- de h-Óra, M., Nicolenco, A., Monalisha, P., Maity, T., Zhu, B., Lee, S., Sun, Z., Sort, J., & MacManus-Driscoll, J. (2023). Highly cyclable voltage control of magnetism in cobalt ferrite nanopillars for memory and neuromorphic applications. APL Materials, 11(5), 051105. https://doi.org/10.1063/5.0147665
- Grosso, B. F., Davies, D. W., Zhu, B., Walsh, A., & Scanlon, D. O. (2023). Accessible Chemical Space for Metal Nitride Perovskites. arXiv. https://doi.org/10.48550/arXiv.2304.05450
- Cen, J., Zhu, B., R. Kavanagh, S., G. Squires, A., & O. Scanlon, D. (2023). Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes. Journal of Materials Chemistry A, 11(25), 13353–13370. https://doi.org/10.1039/D3TA00532A
2022
- Li, D., Zhu, B., Backes, D., Veiga, L. S. I., Lee, T.-L., Wang, H., He, Q., Roy, P., Zhang, J., Shi, J., Chen, A., van Aken, P. A., Jia, Q., Dhesi, S. S., Scanlon, D. O., Zhang, K. H. L., & Li, W. (2022). Manipulating the Metal-to-Insulator Transition and Magnetic Properties in Manganite Thin Films via Epitaxial Strain. Physical Review B, 105(16), 165426. https://doi.org/10.1103/PhysRevB.105.165426
- Zhu, B., & Scanlon, D. O. (2022). Predicting Lithium Iron Oxysulfides for Battery Cathodes. ACS Applied Energy Materials, 5(1), 575–584. https://doi.org/10.1021/acsaem.1c03094
2021
- Zhu, B., Lu, Z., Pickard, C. J., & Scanlon, D. O. (2021). Accelerating Cathode Material Discovery through Ab Initio Random Structure Searching. APL Materials, 9(12), 121111. https://doi.org/10.1063/5.0076220
- Booth, S. G., Nedoma, A. J., Anthonisamy, N. N., Baker, P. J., Boston, R., Bronstein, H., Clarke, S. J., Cussen, E. J., Daramalla, V., De Volder, M., Dutton, S. E., Falkowski, V., Fleck, N. A., Geddes, H. S., Gollapally, N., Goodwin, A. L., Griffin, J. M., Haworth, A. R., Hayward, M. A., … Cussen, S. A. (2021). Perspectives for next Generation Lithium-Ion Battery Cathode Materials. APL Materials, 9(10), 109201. https://doi.org/10.1063/5.0051092
- Huber, S. P., Bosoni, E., Bercx, M., Bröder, J., Degomme, A., Dikan, V., Eimre, K., Flage-Larsen, E., Garcia, A., Genovese, L., Gresch, D., Johnston, C., Petretto, G., Poncé, S., Rignanese, G.-M., Sewell, C. J., Smit, B., Tseplyaev, V., Uhrin, M., … Pizzi, G. (2021). Common Workflows for Computing Material Properties Using Different Quantum Engines. Npj Computational Materials, 7(1), 1–12. https://doi.org/10.1038/s41524-021-00594-6
- Tappan, B. A., Zhu, B., Cottingham, P., Mecklenburg, M., Scanlon, D. O., & Brutchey, R. L. (2021). Crystal Structure of Colloidally Prepared Metastable Ag2Se Nanocrystals. Nano Letters, 21(13), 5881–5887. https://doi.org/10.1021/acs.nanolett.1c02045
- Lu, Z., Zhu, B., Shires, B. W. B., Scanlon, D. O., & Pickard, C. J. (2021). Ab Initio Random Structure Searching for Battery Cathode Materials. The Journal of Chemical Physics, 154(17), 174111. https://doi.org/10.1063/5.0049309
- Goodall, R. E. A., Zhu, B., MacManus-Driscoll, J. L., & Lee, A. A. (2021). Materials Informatics Reveals Unexplored Structure Space in Cuprate Superconductors. Advanced Functional Materials, 31(52), 2104696. https://doi.org/10.1002/adfm.202104696
2020
- Di Martino, G., Demetriadou, A., Li, W., Kos, D., Zhu, B., Wang, X., de Nijs, B., Wang, H., MacManus-Driscoll, J., & Baumberg, J. J. (2020). Real-Time in Situ Optical Tracking of Oxygen Vacancy Migration in Memristors. Nature Electronics, 3(11), 687–693. https://doi.org/10.1038/s41928-020-00478-5
- Zhao, B., Lian, Y., Cui, L., Divitini, G., Kusch, G., Ruggeri, E., Auras, F., Li, W., Yang, D., Zhu, B., Oliver, R. A., MacManus-Driscoll, J. L., Stranks, S. D., Di, D., & Friend, R. H. (2020). Efficient Light-Emitting Diodes from Mixed-Dimensional Perovskites on a Fluoride Interface. Nature Electronics, 3(11), 704–710. https://doi.org/10.1038/s41928-020-00487-4
- Zhu, B., Johansen, V. E., Kamita, G., Guidetti, G., Bay, M. M., Parton, T. G., Frka-Petesic, B., & Vignolini, S. (2020). Hyperspectral Imaging of Photonic Cellulose Nanocrystal Films: Structure of Local Defects and Implications for Self-Assembly Pathways. ACS Nano, 14(11), 15361–15373. https://doi.org/10.1021/acsnano.0c05785
- Hope, M. A., Zhang, B., Zhu, B., Halat, D. M., MacManus-Driscoll, J. L., & Grey, C. P. (2020). Revealing the Structure and Oxygen Transport at Interfaces in Complex Oxide Heterostructures via 17O NMR Spectroscopy. Chemistry of Materials, 32(18), 7921–7931. https://doi.org/10.1021/acs.chemmater.0c02698
- Cheng, B., Griffiths, R.-R., Wengert, S., Kunkel, C., Stenczel, T., Zhu, B., Deringer, V. L., Bernstein, N., Margraf, J. T., Reuter, K., & Csanyi, G. (2020). Mapping Materials and Molecules. Accounts of Chemical Research, 53(9), 1981–1991. https://doi.org/10.1021/acs.accounts.0c00403
- Choi, E.-M., Maity, T., Kursumovic, A., Lu, P., Bi, Z., Yu, S., Park, Y., Zhu, B., Wu, R., Gopalan, V., Wang, H., & MacManus-Driscoll, J. L. (2020). Nanoengineering Room Temperature Ferroelectricity into Orthorhombic SmMnO 3 Films. Nature Communications, 11(1), 2207. https://doi.org/10.1038/s41467-020-16101-2
- Lin, Y., Choi, E.-M., Lu, P., Sun, X., Wu, R., Yun, C., Zhu, B., Wang, H., Li, W., Maity, T., & MacManus-Driscoll, J. (2020). Vertical Strain-Driven Antiferromagnetic to Ferromagnetic Phase Transition in EuTiO3 Nanocomposite Thin Films. ACS Applied Materials & Interfaces, 12(7), 8513–8521. https://doi.org/10.1021/acsami.9b17887
- Choi, E.-M., Zhu, B., Lu, P., Feighan, J., Sun, X., Wang, H., & MacManus-Driscoll, J. L. (2020). Magnetic Signatures of 120 K Superconductivity at Interfaces in La2CuO4+δ. Nanoscale, 12(5), 3157–3165. https://doi.org/10.1039/C9NR04996G
- Li, W., Zhu, B., He, Q., Borisevich, A. Y., Yun, C., Wu, R., Lu, P., Qi, Z., Wang, Q., Chen, A., Wang, H., Cavill, S. A., Zhang, K. H. L., & MacManus-Driscoll, J. L. (2020). Interface Engineered Room-Temperature Ferromagnetic Insulating State in Ultrathin Manganite Films. Advanced Science, 7(1), 1901606. https://doi.org/10.1002/advs.201901606
- Li, W., Zhu, B., Zhu, R., Wang, Q., Lu, P., Sun, Y., Cafolla, C., Qi, Z., Chen, A., Gao, P., Wang, H., He, Q., Zhang, K. H. L., & MacManus-Driscoll, J. L. (2020). Atomic-Scale Control of Electronic Structure and Ferromagnetic Insulating State in Perovskite Oxide Superlattices by Long-Range Tuning of BO6 Octahedra. Advanced Functional Materials, 30(40), 2001984. https://doi.org/10.1002/adfm.202001984
2019
- Zhu, B., Schusteritsch, G., Lu, P., MacManus-Driscoll, J. L., & Pickard, C. J. (2019). Determining Interface Structures in Vertically Aligned Nanocomposite Films. APL Materials, 7(6), 061105. https://doi.org/10.1063/1.5099204
- Choi, E.-M., Bernardo, A. D., Zhu, B., Lu, P., Alpern, H., Zhang, K. H. L., Shapira, T., Feighan, J., Sun, X., Robinson, J., Paltiel, Y., Millo, O., Wang, H., Jia, Q., & MacManus-Driscoll, J. L. (2019). 3D Strain-Induced Superconductivity in La2CuO4+δ Using a Simple Vertically Aligned Nanocomposite Approach. Science Advances, 5(4), eaav5532. https://doi.org/10.1126/sciadv.aav5532
2018
- Ghidini, M., Zhu, B., Mansell, R., Pellicelli, R., Lesaine, A., Moya, X., Crossley, S., Nair, B., Maccherozzi, F., Barnes, C. H. W., Cowburn, R. P., Dhesi, S. S., & Mathur, N. D. (2018). Voltage Control of Magnetic Single Domains in Ni Discs on Ferroelectric BaTiO3. Journal of Physics D: Applied Physics, 51(22), 224007. https://doi.org/10.1088/1361-6463/aabf77
2016
- Romanov, A. S., Di, D., Yang, L., Fernandez-Cestau, J., Becker, C. R., James, C. E., Zhu, B., Linnolahti, M., Credgington, D., & Bochmann, M. (2016). Highly Photoluminescent Copper Carbene Complexes Based on Prompt Rather than Delayed Fluorescence. Chemical Communications, 52(38), 6379–6382. https://doi.org/10.1039/C6CC02349E
2015
- Ghidini, M., Lesaine, A., Zhu, B., Moya, X., Yan, W., Crossley, S., Nair, B., Mansell, R., Cowburn, R. P., Barnes, C. H. W., Kronast, F., Valencia, S., Maccherozzi, F., Dhesi, S. S., & Mathur, N. (2015). Magnetoelectric Imaging of Multiferroic Heterostructures (Presentation Recording). Spintronics VIII, 9551, 95511N. https://doi.org/10.1117/12.2190677