ACS Physical Chemistry Au最新文献_第10页

Per- and Polyfluoroalkyl Substance (PFAS) Degradation in Water and Soil Using Cold Atmospheric Plasma (CAP): A Review 低温大气等离子体（CAP）在水和土壤中降解全氟和多氟烷基物质（PFAS）的研究进展

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-02-04 DOI: 10.1021/acsphyschemau.4c0009210.1021/acsphyschemau.4c00092

Victor Somtochukwu Mbanugo, Boluwatife Stephen Ojo, Ta Chun Lin, Yue-Wern Huang, Marek Locmelis and Daoru Han*,

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引用次数: 0

Per- and Polyfluoroalkyl Substance (PFAS) Degradation in Water and Soil Using Cold Atmospheric Plasma (CAP): A Review. 低温大气等离子体（CAP）在水和土壤中降解全氟和多氟烷基物质（PFAS）的研究进展

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-02-04 eCollection Date: 2025-03-26 DOI: 10.1021/acsphyschemau.4c00092

Victor Somtochukwu Mbanugo, Boluwatife Stephen Ojo, Ta Chun Lin, Yue-Wern Huang, Marek Locmelis, Daoru Han

{"title":"Per- and Polyfluoroalkyl Substance (PFAS) Degradation in Water and Soil Using Cold Atmospheric Plasma (CAP): A Review.","authors":"Victor Somtochukwu Mbanugo, Boluwatife Stephen Ojo, Ta Chun Lin, Yue-Wern Huang, Marek Locmelis, Daoru Han","doi":"10.1021/acsphyschemau.4c00092","DOIUrl":"10.1021/acsphyschemau.4c00092","url":null,"abstract":"Per- and polyfluoroalkyl substances (PFASs) are persistent organic chemicals found in numerous industrial applications and everyday products. The excessive amounts of PFASs in water and soil, together with their link to severe health issues, have prompted substantial public concerns, making their removal from the environment a necessity. Existing degradation techniques are frequently lacking due to their low efficiency, cost-effectiveness, and potential for secondary contamination. Cold Atmospheric Plasma (CAP) technology has emerged as a promising alternative, utilizing energized reactive species to break down PFASs under ambient conditions. Therefore, this review examines the efficacy and effectiveness of CAP in degrading PFASs by reviewing various CAP setups and examining the key factors involved. This review also aims to further the development of CAP as a viable solution for PFAS degradation by addressing outstanding challenges and future directions in soil and water treatment.","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 2","pages":"117-133"},"PeriodicalIF":3.7,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11950857/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143754579","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

A Transition State Resonance Radically Reshapes Angular Distributions of the F + H2 → FH(vf = 3) + H Reaction in the 62–102 meV Energy Range 跃迁态共振从根本上改变了62 ~ 102 meV能量范围内F + H2→FH(vf = 3) + H反应的角分布

IF 3.7

ACS Physical Chemistry Au Pub Date : 2025-02-04 DOI: 10.1021/acsphyschemau.4c0009610.1021/acsphyschemau.4c00096

Dmitri Sokolovski*, Dario De Fazio and Elena Akhmatskaya,

{"title":"A Transition State Resonance Radically Reshapes Angular Distributions of the F + H2 → FH(vf = 3) + H Reaction in the 62–102 meV Energy Range","authors":"Dmitri Sokolovski*, Dario De Fazio and Elena Akhmatskaya, ","doi":"10.1021/acsphyschemau.4c0009610.1021/acsphyschemau.4c00096","DOIUrl":"https://doi.org/10.1021/acsphyschemau.4c00096https://doi.org/10.1021/acsphyschemau.4c00096","url":null,"abstract":"Reactive angular distributions of the benchmark F + H2(vi = 0) → FH(vf = 3) + H reaction show unusual propensity toward small scattering angles, a subject of a long debate in the literature. We use Regge trajectories to quantify the resonance contributions to state-to-state differential cross sections. Conversion to complex energy poles allows us to attribute the effect almost exclusively to a transition state resonance, long known to exist in the F + H2 system and its isotopic variant F + HD. For our detailed analysis of angular scattering we employ the package DCS_Regge, recently developed for the purpose [<contrib-group>Akhmatskaya, E.; Sokolovski, D.</contrib-group> <cite>Comput. Phys. Commun.</cite> 2022, 277, <elocation-id>108370</elocation-id>].","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 2","pages":"219–226 219–226"},"PeriodicalIF":3.7,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsphyschemau.4c00096","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696419","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

Muhammad Usama, Samad Razzaq and Kai S. Exner*,

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*,

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 DOI: 10.1021/acsphyschemau.4c0008410.1021/acsphyschemau.4c00084

William Bro-Jørgensen, Andreas Juul Bay-Smidt, Davide Donadio and 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 and Gemma C. Solomon*, ","doi":"10.1021/acsphyschemau.4c0008410.1021/acsphyschemau.4c00084","DOIUrl":"https://doi.org/10.1021/acsphyschemau.4c00084https://doi.org/10.1021/acsphyschemau.4c00084","url":null,"abstract":"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)4(NCS)2 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.","PeriodicalId":29796,"journal":{"name":"ACS Physical Chemistry Au","volume":"5 2","pages":"162–170 162–170"},"PeriodicalIF":3.7,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsphyschemau.4c00084","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143696461","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*,

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,

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*,