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Physical Chemistry Chemical Physics : PCCP|March 18, 2020
First principles study on hydrogen doping induced metal-to-insulator transition in rare earth nickelates RNiO<sub>3</sub> (R = Pr, Nd, Sm, Eu, Gd, Tb, Dy, Yb)Pilsun Yoo, Peilin LiaoChemical Society Reviews|November 1, 2012
New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxidesPeilin Liao, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|July 16, 2011
Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (α-Fe2O3) as a benchmarkPeilin Liao, Emily A CarterPhysical Chemistry Chemical Physics : PCCP|November 12, 2019
A computational study of hydrogen doping induced metal-to-insulator transition in CaFeO<sub>3</sub>, SrFeO<sub>3</sub>, BaFeO<sub>3</sub> and SmMnO<sub>3</sub>Shukai Yao, Pilsun Yoo, Peilin LiaoJournal of the American Chemical Society|July 14, 2012
Water oxidation on pure and doped hematite (0001) surfaces: prediction of Co and Ni as effective dopants for electrocatalysisPeilin Liao, John A Keith, Emily A CarterThe Journal of Chemical Physics|July 16, 2008
Rotationally invariant ab initio evaluation of Coulomb and exchange parameters for DFT+U calculationsNicholas J Mosey, Peilin Liao, Emily A CarterACS Applied Materials & Interfaces|April 11, 2017
Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles StudyPeilin Liao, Rachel B Getman, Randall Q SnurrNano Letters|March 24, 2011
Electron transport in pure and doped hematitePeilin Liao, Maytal Caspary Toroker, Emily A CarterPhysical Review Letters|December 11, 2012
Origin of the energy barrier to chemical reactions of O2 on Al(111): evidence for charge transfer, not spin selectionFlorian Libisch, Chen Huang, Peilin Liao, et al.Nature Communications|November 2, 2018
Interfacing nickel nitride and nickel boosts both electrocatalytic hydrogen evolution and oxidation reactionsFuzhan Song, Wei Li, Jiaqi Yang, et al.Pageof 4