实验数据证实了跨蛋白质固态传导的载流子级联模型

Eszter Papp, Gabor Vattay, Carlos Romero-Muniz, Linda A. Zotti, Jerry A. Fereiro, Mordechai Sheves, David Cahen
{"title":"实验数据证实了跨蛋白质固态传导的载流子级联模型","authors":"Eszter Papp, Gabor Vattay, Carlos Romero-Muniz, Linda A. Zotti, Jerry A. Fereiro, Mordechai Sheves, David Cahen","doi":"arxiv-2407.17982","DOIUrl":null,"url":null,"abstract":"The finding that electronic conductance across ultra-thin protein films\nbetween metallic electrodes remains nearly constant from room temperature to\njust a few degrees Kelvin has posed a challenge. We show that a model based on\na generalized Landauer formula explains the nearly constant conductance and\npredicts an Arrhenius-like dependence for low temperatures. A critical aspect\nof the model is that the relevant activation energy for conductance is either\nthe difference between the HOMO and HOMO-1 or the LUMO+1 and LUMO energies\ninstead of the HOMO-LUMO gap of the proteins. Analysis of experimental data\nconfirm the Arrhenius-like law and allows us to extract the activation\nenergies. We then calculate the energy differences with advanced DFT methods\nfor proteins used in the experiments. Our main result is that the experimental\nand theoretical activation energies for these three different proteins and\nthree differently prepared solid-state junctions match nearly perfectly,\nimplying the mechanism's validity.","PeriodicalId":501022,"journal":{"name":"arXiv - QuanBio - Biomolecules","volume":"21 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Experimental Data Confirm Carrier-Cascade Model for Solid-State Conductance across Proteins\",\"authors\":\"Eszter Papp, Gabor Vattay, Carlos Romero-Muniz, Linda A. Zotti, Jerry A. Fereiro, Mordechai Sheves, David Cahen\",\"doi\":\"arxiv-2407.17982\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The finding that electronic conductance across ultra-thin protein films\\nbetween metallic electrodes remains nearly constant from room temperature to\\njust a few degrees Kelvin has posed a challenge. We show that a model based on\\na generalized Landauer formula explains the nearly constant conductance and\\npredicts an Arrhenius-like dependence for low temperatures. A critical aspect\\nof the model is that the relevant activation energy for conductance is either\\nthe difference between the HOMO and HOMO-1 or the LUMO+1 and LUMO energies\\ninstead of the HOMO-LUMO gap of the proteins. Analysis of experimental data\\nconfirm the Arrhenius-like law and allows us to extract the activation\\nenergies. We then calculate the energy differences with advanced DFT methods\\nfor proteins used in the experiments. Our main result is that the experimental\\nand theoretical activation energies for these three different proteins and\\nthree differently prepared solid-state junctions match nearly perfectly,\\nimplying the mechanism's validity.\",\"PeriodicalId\":501022,\"journal\":{\"name\":\"arXiv - QuanBio - Biomolecules\",\"volume\":\"21 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-07-25\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - QuanBio - Biomolecules\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2407.17982\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - QuanBio - Biomolecules","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2407.17982","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

在金属电极之间的超薄蛋白质薄膜上,电子电导从室温到几开尔文几乎保持不变,这一发现提出了一个挑战。我们的研究表明,基于广义兰道尔公式的模型可以解释近乎恒定的电导率,并预测在低温下会出现类似阿伦尼乌斯的依赖关系。该模型的一个重要方面是,与电导相关的活化能是蛋白质的 HOMO 和 HOMO-1 或 LUMO+1 和 LUMO 能量之差,而不是 HOMO-LUMO 间隙。对实验数据的分析证实了类似阿伦尼乌斯的定律,使我们能够提取活化能。然后,我们用先进的 DFT 方法计算了实验中所用蛋白质的能量差异。我们的主要结果是,这三种不同蛋白质和三种不同制备的固态结的实验和理论活化能几乎完全吻合,这意味着该机制是有效的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Experimental Data Confirm Carrier-Cascade Model for Solid-State Conductance across Proteins
The finding that electronic conductance across ultra-thin protein films between metallic electrodes remains nearly constant from room temperature to just a few degrees Kelvin has posed a challenge. We show that a model based on a generalized Landauer formula explains the nearly constant conductance and predicts an Arrhenius-like dependence for low temperatures. A critical aspect of the model is that the relevant activation energy for conductance is either the difference between the HOMO and HOMO-1 or the LUMO+1 and LUMO energies instead of the HOMO-LUMO gap of the proteins. Analysis of experimental data confirm the Arrhenius-like law and allows us to extract the activation energies. We then calculate the energy differences with advanced DFT methods for proteins used in the experiments. Our main result is that the experimental and theoretical activation energies for these three different proteins and three differently prepared solid-state junctions match nearly perfectly, implying the mechanism's validity.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信