activity
20042020
most citedFirst-principles prediction of redox potentials in transition-metal compounds with LDA+U

1.1k citations · 3.7k across the 21 of their papers we have counts for

collaborators
Showing 2014Show all

2 papers · 1 filter

cond-mat.mtrl-sci2014★ 77 cited

Non-Grotthuss Proton Diffusion Mechanism in Tungsten Oxide Dihydrate from First-Principles Calculations

Hao Lin, Fei Zhou, Chi-Ping Liu +1

Fast proton conduction mechanism is of key importance for achieving high performance in fuel cell membranes, batteries, supercapacitors, and electrochromic materials. Enhanced prot…

cond-mat.mtrl-sci2014★ 401 cited

Lattice anharmonicity and thermal conductivity from compressive sensing of first-principles calculations

Fei Zhou, Weston Nielson, Yi Xia +1

First-principles prediction of lattice thermal conductivity of strongly anharmonic crystals is a long-standing challenge in solid state physics. Making use of recent advances…