The Pseudo Jahn–Teller effect and NBO analysis for untangling the symmetry breaking in the planar configurations of M2X4+ (M = Si, Ge and X = Cl, Br, I) …
G Kouchakzadeh, G Mahmoudzadeh - Journal of Molecular Modeling, 2024 - Springer
Abstract Context The Pseudo Jahn-Teller effect is a significant tool for evaluating molecular
distortion and symmetry breaking. The PJT effect associated with NBO analysis can be a …
distortion and symmetry breaking. The PJT effect associated with NBO analysis can be a …
Pseudo Jahn–Teller Origin of Buckling Deformation of Two-dimensional Group-IV-Based Triphosphides as an Anode of Sodium-Ion Batteries
Y Wang, Y Yao, X Zheng, W Li… - The Journal of Physical …, 2020 - ACS Publications
Two-dimensional group-IV-based triphosphides MP3 (M= C, Ge, and Sn) with blue-type
structures are regarded as potential and promising anode materials for sodium-ion batteries …
structures are regarded as potential and promising anode materials for sodium-ion batteries …