ACS Physical Chemistry Au最新文献

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IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Muhammad Usama, Samad Razzaq and Kai S. Exner*, 
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引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Ata Madanchi, Emna Azek, Karim Zongo, Laurent K. Béland, Normand Mousseau and Lena Simine*, 
{"title":"","authors":"Ata Madanchi, Emna Azek, Karim Zongo, Laurent K. Béland, Normand Mousseau and Lena Simine*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00063","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144412129","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Chen Zhang*, Valerie A. Niemann, Peter Benedek, Thomas F. Jaramillo and Mathieu Doucet, 
{"title":"","authors":"Chen Zhang*, Valerie A. Niemann, Peter Benedek, Thomas F. Jaramillo and Mathieu Doucet, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00054","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144354720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Mohammad A. Rahman, Mst Nigar Sultana, Daud Sharif, Sultan Mahmud, Justin Legleiter, Peng Li, Blake Mertz* and Stephen J. Valentine*, 
{"title":"","authors":"Mohammad A. Rahman, Mst Nigar Sultana, Daud Sharif, Sultan Mahmud, Justin Legleiter, Peng Li, Blake Mertz* and Stephen J. Valentine*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00048","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144354721","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis and Julio Sambrano*, 
{"title":"","authors":"José A. S. Laranjeira, Nicolas Martins, Pablo A. Denis and Julio Sambrano*, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00068","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144412131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Vangelis Daskalakis*, Sayan Maity and Ulrich Kleinekathöfer, 
{"title":"","authors":"Vangelis Daskalakis*, Sayan Maity and Ulrich Kleinekathöfer, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00069","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144412128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/pgv005i001_1891677","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144412123","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Eudes Eterno Fileti, Henrique de Araujo Chagas, Guilherme Colherinhas* and Thaciana Malaspina, 
{"title":"","authors":"Eudes Eterno Fileti, Henrique de Araujo Chagas, Guilherme Colherinhas* and Thaciana Malaspina, ","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00072","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144412125","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms. 分子热管理的重溶液:用重原子抑制声子输运。
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22 eCollection Date: 2025-03-26 DOI: 10.1021/acsphyschemau.4c00084
William Bro-Jørgensen, Andreas Juul Bay-Smidt, Davide Donadio, Gemma C Solomon
{"title":"Heavy Solution for Molecular Thermal Management: Phonon Transport Suppression with Heavy Atoms.","authors":"William Bro-Jørgensen, Andreas Juul Bay-Smidt, Davide Donadio, Gemma C Solomon","doi":"10.1021/acsphyschemau.4c00084","DOIUrl":"10.1021/acsphyschemau.4c00084","url":null,"abstract":"<p><p>Thermal management in molecular systems presents challenges that require a deeper understanding of phonon transport, an essential aspect of heat conduction in single-molecule junctions. Our work introduces the use of heavy atoms as a strategy for suppressing phonon transport in organic molecules. Starting with a one-dimensional (1D) force-constant model and density functional theory calculations of model chemical systems, we illustrate how increasing the mass of a central atom affects phonon transmission and conductance. Following this, we turned our attention to the chemically accessible systems of metallapolyynes and extended metal atom chains (EMACs). Our findings suggest that several of the studied EMACs exhibit thermal conductance either near or below a recently proposed threshold of 10 pW/K-a crucial step toward reaching high thermoelectric figure of merits. Specifically, we predict that the molecule MoMoNi(npo)<sub>4</sub>(NCS)<sub>2</sub> has a thermal conductance of just 8.3 pW/K at 300 K. Our results demonstrate that conceptually simple chemical modifications can markedly reduce the thermal conductance of single molecules; these results both deepen our understanding of the mechanisms driving single-molecule phonon thermal conductance and suggest a path toward using single molecules as thermoelectric materials.</p>","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 2","pages":"162-170"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11950860/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143753835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
IF 3.7
ACS Physical Chemistry Au Pub Date : 2025-01-22
Wei-Chu Huang, Yi-Yin Lu, Shiao-Chen Huang, Tai-Chung Lo, Shun-Yuan Luo, Wei-Hong Huang, Chih-Wei Luo, Vincent K.-S. Hsiao and Chih-Chien Chu*, 
{"title":"","authors":"Wei-Chu Huang,&nbsp;Yi-Yin Lu,&nbsp;Shiao-Chen Huang,&nbsp;Tai-Chung Lo,&nbsp;Shun-Yuan Luo,&nbsp;Wei-Hong Huang,&nbsp;Chih-Wei Luo,&nbsp;Vincent K.-S. Hsiao and Chih-Chien Chu*,&nbsp;","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 1","pages":"XXX-XXX XXX-XXX"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acsphyschemau.4c00082","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144412124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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