Insight into carbon formation from ethylene decomposition over Pd(100) via density functional theory calculations

Zhang, M. / Yang, K. / Yu, Y. | British Library Online Contents | 2015

A high-throughput infrastructure for density functional theory calculations

Jain, A. / Hautier, G. / Moore, C. J. et al. | British Library Online Contents | 2011

Dopant-defect interactions in Ge: Density functional theory calculations

Chroneos, A. | British Library Online Contents | 2012

Accurate and efficient band-offset calculations from density functional theory

Weston, L. / Tailor, H. / Krishnaswamy, K. et al. | British Library Online Contents | 2018

Accurate and efficient band-offset calculations from density functional theory

Weston, L. / Tailor, H. / Krishnaswamy, K. et al. | British Library Online Contents | 2018