Alex Squires

Research output

Research output per year 2020 2023 2023

• 6 Article

Research output per year

Research output per year

Search results

• 2023

  Cation disorder dominates the defect chemistry of high-voltage LiMn_1.5Ni_0.5O₄ (LMNO) spinel cathodes

  Cen, J., Zhu, B., Kavanagh, S. R., Squires, A. G. & Scanlon, D. O., 7 Jul 2023, In: Journal of Materials Chemistry A. 11, 25, p. 13353-13370 18 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • spinell 100%
  • P4332 95%
  • Positive ions 70%
  • Cations 57%
  • Cathodes 56%
  9 Downloads (Pure)

• Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn₂SbS₂I₃

  Nicolson, A., Breternitz, J., Kavanagh, S. R., Tomm, Y., Morita, K., Tovar, M., Walsh, A., Schorr, S., Scanlon, D. O. & Squires, A., 14 Jun 2023, In: Journal of the American Chemical Society. 145, 23, p. 12509–12517 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Metals 100%
  • Disorder 99%
  • Positive ions 95%
  • Optoelectronic devices 89%
  • Energy gap 87%
  13 Downloads (Pure)

• py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations

  Squires, A., Scanlon, D. O. & Morgan, B. J., 3 Feb 2023, In: Journal of Open Source Software. 8, 82, 4 p., 4962.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File
  16 Downloads (Pure)

• Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials

  Squires, A. & Scanlon, D. O., 7 Jul 2023, In: Journal of Materials Chemistry A. 11, 25, p. 13765-13773 9 p.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Cathode materials 100%
  • Short-Range Order 92%
  • Positive ions 87%
  • Lithium 78%
  • Transition metals 77%
  14 Downloads (Pure)
• 2022

  Low electronic conductivity of Li₇La₃Zr₂O₁₂ solid electrolytes from first principles

  Squires, A. G., Davies, D. W., Kim, S., Scanlon, D. O., Walsh, A. & Morgan, B. J., 1 Aug 2022, In: Physical Review Materials. 6, 8, 12 p., 085401.

  Research output: Contribution to journal › Article › peer-review

  Open Access

  File

  • Solid electrolytes 100%
  • solid electrolytes 85%
  • Lithium 78%
  • Solid Electrolyte 71%
  • lithium 62%
  43 Downloads (Pure)
• 2020

  Native Defects and Their Doping Response in the Lithium Solid Electrolyte Li7La3Zr2O12

  Scanlon, D. O., Morgan, B. J. & Squires, A., 10 Mar 2020, In: Chemistry of Materials.

  Research output: Contribution to journal › Article › peer-review