Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide-Reference-Cited by-同舟云学术

Computational Design of Intrinsic Molecular Rectifiers Based on Asymmetric Functionalization of N-Phenylbenzamide

Published:2015-11-11 Issue:12 Volume:11 Page:5888-5896
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ding Wendu¹²,Koepf Matthieu²,Koenigsmann Christopher²,Batra Arunabh³,Venkataraman Latha³,Negre Christian F. A.¹²,Brudvig Gary W.¹²,Crabtree Robert H.¹²,Schmuttenmaer Charles A.¹²,Batista Victor S.¹²

Affiliation:

1. Department of Chemistry, Yale University, P.O. Box 208107, New Haven, Connecticut 06520-8107, United States

2. Yale Energy Sciences Institute, Yale University, P.O. Box 27394, West Haven, Connecticut 06516-7394, United States

3. Department of Applied Physics and Applied Mathematics, Columbia University, New York, New York 10027, United States

Funder

Basic Energy Sciences

TomKat Charitable Trust

David and Lucile Packard Foundation

Division of Graduate Education

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00823

Reference74 articles.

1. Tunneling through Fatty Acid Salt Monolayers

2. Molecular rectifiers

3. Conductance of a Molecular Junction

4. Kondo resonance in a single-molecule transistor

5. Coulomb blockade and the Kondo effect in single-atom transistors

Cited by 32 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In Silico Optimization of Charge Separating Dyes for Solar Energy Conversion;ChemSusChem;2022-06-22

2. Highly efficient metalloporphyrin-based nanosensors for NO detection;Physical Chemistry Chemical Physics;2022

3. Highly sensitive and low-power consumption metalloporphyrin-based junctions for CO_x detection with excellent recovery;Physical Chemistry Chemical Physics;2022

4. Half-metallic porphyrin-based molecular junctions for spintronic applications;Physical Review B;2021-12-27

5. Predicting Finite-Bias Tunneling Current Properties from Zero-Bias Features: The Frontier Orbital Bias Dependence at an Exemplar Case of DNA Nucleotides in a Nanogap;Nanomaterials;2021-11-10