Molecular magnetoresistance enhanced by destructive quantum interference of a [π‧‧‧π] supramolecule

IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL Physical Chemistry Chemical Physics Pub Date : 2025-03-11 DOI:10.1039/d5cp00212e

Hua Hao, Shuhui Qin, Ting Jia, Xiaohong Zheng

{"title":"Molecular magnetoresistance enhanced by destructive quantum interference of a [π‧‧‧π] supramolecule","authors":"Hua Hao, Shuhui Qin, Ting Jia, Xiaohong Zheng","doi":"10.1039/d5cp00212e","DOIUrl":null,"url":null,"abstract":"Molecular magnetoresistance shows promise for future computer memory and storage technologies. In this study, we design a novel molecular device to achieve this magnetoresistance, where a [[π‧‧‧π] supramolecule composed of two DCV4T (dicyanovinyl end-capped quaterthiophene) monomers is employed as the functional unit, and sandwiched between two ferromagnetic electrodes. Density-functional theory investigations reveal that the magnetoresistance ratio (MR) is influenced by the configuration of the supramolecule and the temperature. Remarkably, the maximum MR of the designed device can reach up to 18000% even at room temperature. This exceptional magnetoresistance is basically associated with the destructive quantum interference (DQI) between electron transmissions through the highest-occupied and lowest-unoccupied molecular orbitals of the [π‧‧‧π] supramolecule, occurring near the Fermi level of the device. Our study paves the way for significant enhancement of molecular magnetoresistance grounded in the DQI effect, especially through the use of [π‧‧‧π] supramolecules.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"31 1","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1039/d5cp00212e","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Molecular magnetoresistance shows promise for future computer memory and storage technologies. In this study, we design a novel molecular device to achieve this magnetoresistance, where a [[π‧‧‧π] supramolecule composed of two DCV4T (dicyanovinyl end-capped quaterthiophene) monomers is employed as the functional unit, and sandwiched between two ferromagnetic electrodes. Density-functional theory investigations reveal that the magnetoresistance ratio (MR) is influenced by the configuration of the supramolecule and the temperature. Remarkably, the maximum MR of the designed device can reach up to 18000% even at room temperature. This exceptional magnetoresistance is basically associated with the destructive quantum interference (DQI) between electron transmissions through the highest-occupied and lowest-unoccupied molecular orbitals of the [π‧‧‧π] supramolecule, occurring near the Fermi level of the device. Our study paves the way for significant enhancement of molecular magnetoresistance grounded in the DQI effect, especially through the use of [π‧‧‧π] supramolecules.

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

求助全文

约1分钟内获得全文去求助

来源期刊

Physical Chemistry Chemical Physics 化学-物理：原子、分子和化学物理

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.