First Principles Phase Diagram Calculation and Theoretical Investigation of Electronic Structure Properties of ZnO_1-xSe_x for Photoanode Applications

Dec 7, 2022
11:15am - 11:20am

EQ05-virtual

Arini Kar

Arini Kar¹,Balasubramaniam Kavaipatti¹,Dayadeep Monder¹

Indian Institute of Technology Bombay¹

electronic structure | II-VI | thermodynamics

Stefaan De Wolf, King Abdullah University of Science and Technology

Geoffroy Hautier, University Catholique de Louvain

Monica Morales-Masis, University of Twente

Barry Rand, Princeton University

Stefaan De Wolf

Geoffroy Hautier

Monica Morales-Masis

Barry Rand

First Principles Phase Diagram Calculation and Theoretical Investigation of Electronic Structure Properties of ZnO1-xSex for Photoanode Applications