Dane Morgan

Overview

Best Publications

• First-principles study of native point defects in ZnO

  A. F. Kohan;G. Ceder;D. Morgan;Chris G. Van de Walle

  2226
  Citations

• AFLOW: An automatic framework for high-throughput materials discovery

  Stefano Curtarolo;Wahyu Setyawan;Gus L Hart;Michal Jahnatek

  1464
  Citations

• LI CONDUCTIVITY IN LIX MPO 4 ( M = MN , FE , CO , NI ) OLIVINE MATERIALS

  D Morgan;A J Van Der Ven;G Ceder

  1400
  Citations

• Instability of Pt ∕ C Electrocatalysts in Proton Exchange Membrane Fuel Cells A Mechanistic Investigation

  P. J. Ferreira;Y. Shao-Horn;D. Morgan

  1387
  Citations

• First-principles prediction of redox potentials in transition-metal compounds with LDA+ U

  Fei Zhou;Matteo Cococcioni;Chris A. Marianetti;Dane Morgan

  1208
  Citations

• Instability of Supported Platinum Nanoparticles in Low-Temperature Fuel Cells

  Y. Shao-Horn;W. C. Sheng;S. Chen;Paulo J Ferreira

  1168
  Citations

• Prediction of solid oxide fuel cell cathode activity with first-principles descriptors

  Yueh-Lin Lee;Jesper Kleis;Jan Rossmeisl;Yang Shao-Horn

  674
  Citations

• Ab initio energetics of LaBO3(001) (B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

  Yueh-Lin Lee;Jesper Kleis;Jan Rossmeisl;Dane Morgan

  542
  Citations

• Predicting crystal structure by merging data mining with quantum mechanics.

  Christopher C. Fischer;Kevin J. Tibbetts;Dane Morgan;Gerbrand Ceder

  537
  Citations

• The electronic structure and band gap of LiFePO4 and LiMnPO4

  Fei Zhou;Kisuk Kang;Thomas Maxisch;Gerbrand Ceder

  517
  Citations

• New frontiers for the materials genome initiative

  Juan J. de Pablo;Nicholas E. Jackson;Michael A. Webb;Long Qing Chen

  510
  Citations

• Predicting crystal structures with data mining of quantum calculations.

  Stefano Curtarolo;Dane Morgan;Kristin Persson;John Rodgers

  500
  Citations

• Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys

  Stefano Curtarolo;Dane Morgan;Gerbrand Ceder

  420
  Citations

• Pt nanoparticle stability in PEM fuel cells: influence of particle size distribution and crossover hydrogen

  Edward F. Holby;Wenchao Sheng;Yang Shao-Horn;Dane Morgan

  367
  Citations

• Opportunities and Challenges for Machine Learning in Materials Science

  Dane Morgan;Ryan Jacobs

  360
  Citations

• Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells

  Ethan J. Crumlin;Eva Mutoro;Zhi Liu;Michael E. Grass

  346
  Citations

• Nondilute diffusion from first principles: Li diffusion in Li x TiS 2

  Anton Van der Ven;John C. Thomas;Qingchuan Xu;Benjamin Swoboda

  304
  Citations

• Electrochemical modeling of intercalation processes with phase field models

  B.C. Han;A. Van der Ven;D. Morgan;G. Ceder

  288
  Citations

• First-principles study of the stability and electronic structure of metal hydrides

  H. Smithson;H. Smithson;C. A. Marianetti;D. Morgan;A. Van der Ven

  286
  Citations

• Phase Stability of Nickel Hydroxides and Oxyhydroxides

  A. Van der Ven;D. Morgan;Y. S. Meng;G. Ceder

  273
  Citations

• Towards more accurate First Principles prediction of redox potentials in transition-metal compounds with LDA+U

  Fei Zhou;Matteo Cococcioni;Chris A. Marianetti;Dane Morgan

  2
  Citations