Search

6 results in Keywords: NEGF-DFT

Theoretical and Computational Chemistry

The Anomalous Effect of Quantum Interference in Organic Spin Filters

Ashima Bajaj, Prabhleen Kaur, Aakanksha Sud, Marco Berritta, Md. Ehesan Ali

Version 2 posted 08 September 2020

1,022

Downloads

Physical Chemistry

Broken Edge Spin-Symmetry Induces Spin-polarized Current in Graphene Nanoribbon

Shahjad Ali, Md. Ehesan Ali

Version 2 posted 01 November 2023

248

Downloads

Theoretical and Computational Chemistry

Quantum Interference and Spin Filtering Effects in Photo-responsive Endoperoxide Based Single Molecular Device

Ashima Bajaj, Rishu Khurana, Md. Ehesan Ali

Version 1 posted 03 May 2021

308

Downloads

Physical Chemistry

Quantum Interference Controlled Spin-Polarized Electron Transmission in Graphene Nanoribbons

Shahjad Ali, Ashima Bajaj, Md. Ehesan Ali

Version 1 posted 15 March 2022

235

Downloads

Theoretical and Computational Chemistry

Anti-ohmic Nanoconductors: Myth, Reality and Promise

Ashima Bajaj, Md. Ehesan Ali

Version 3 posted 20 January 2023

398

Downloads

Physical Chemistry

Quantum Spin Sensor for Open-shell Molecules

SHAHJAD ALI, Md. Ehesan Ali

Version 1 posted 01 November 2024

108

Downloads