Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study. DFT-part

Bustamante, Joana; Naik, Aakash; Ueltzen, Katharina; George, Janine; Ertural, Christina

other

Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study. DFT-part

Authors: Joana Bustamante
Aakash Naik
Katharina Ueltzen
Janine George
Christina Ertural
Publication date: 1 January 2025
Publisher
Doi

Abstract

This repository contains computational data supporting the manuscript titled *“Thermal Transport in Ag8TS6 (T= Si, Ge, Sn) Argyrodites: An Integrated Experimental, Quantum-Chemical, and Computational Modelling Study”* It includes raw data for vibrational properties, elastic properties and Bonding analysis

Similar works

Full text

BAM-Publica - Publikationsserver der Bundesanstalt für Materialforschung und -prüfung

oai:kobv.de-opus4-bam:64671

Last time updated on 07/12/2025

This paper was published in BAM-Publica - Publikationsserver der Bundesanstalt für Materialforschung und -prüfung.

Having an issue?

Is data on this page outdated, violates copyrights or anything else? Report the problem now and we will take corresponding actions after reviewing your request.