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}
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.