Chemphyschem最新文献_第3页

Adsorption of CO on α-Al2O3(0001): A combined experimental and computational study.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-13 DOI: 10.1002/cphc.202401134

Siddhi Gojare, Shuang Chen, Jiachen Chen, Zairan Yu, Juana Vazquez Quesada, Philipp Pleßow, Karin Fink, Yuemin Wang

引用次数: 0

Photoinduced Dynamics of [N(C₃H₇)₄]₂[Cu₄Br₆] Thin Films with Dual Self-Trapped Exciton Emission and Negative Thermal Quenching.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-12 DOI: 10.1002/cphc.202401143

Domenic Gust, Alexander Merker, Konstantin Moritz Knötig, Kawon Oum, Thomas Lenzer

{"title":"Photoinduced Dynamics of [N(C3H7)4]2[Cu4Br6] Thin Films with Dual Self-Trapped Exciton Emission and Negative Thermal Quenching.","authors":"Domenic Gust, Alexander Merker, Konstantin Moritz Knötig, Kawon Oum, Thomas Lenzer","doi":"10.1002/cphc.202401143","DOIUrl":"10.1002/cphc.202401143","url":null,"abstract":"Organic-inorganic halocuprates(I) form a promising class of light-emitting materials with high photoluminescence (PL) quantum yield. However, the understanding of their emission properties and the PL mechanism is still limited. Here, we investigate thin films of bis(tetrapropylammonium) hexa-μ-bromo-tetrahedro-tetracuprate(I), [N(C3H7)4]2[Cu4Br6], which has a zero-dimensional (0D) molecular salt structure containing [Cu4Br6]2- ions. The compound shows a bright orange PL, consisting of two bands, with a quantum yield of about 95 % at room temperature. An analysis of the temperature-dependent width of the two emission bands provides large Huang-Rhys factors of 81 and 33, which are assigned to two self-trapped exciton states (denoted as STE1 and STE2) with different excited-state structures of the anion. For both STE bands, a decrease of the lifetime from 82 to 32 μs over the temperature range 80-323 K is accompanied by an increase of the PL band integral, indicating an unusual negative thermal quenching process. The microsecond lifetimes are consistent with a phosphorescence process. Broadband transient absorption experiments from the femto- to the microsecond regime provide a time constant for S1→T1 intersystem crossing (ISC) step of 490 ps and time scales for the cooling processes in S1 and T1.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202401143"},"PeriodicalIF":2.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143613741","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modification of Graphene Oxide Aerogel Monolith by Gamma Irradiation.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-12 DOI: 10.1002/cphc.202401122

Y M Shulga, S A Baskakov, E N Kabachkov, M V Zhidkov, N N Dremova, A V Alperovich, P P Kushch, G A Kichigina, D P Kiryukhin, Yu V Baskakova, S S Krasnikova, N Y Shulga, K G Belay, G L Gutsev

引用次数: 0

Exploring Novel Interfacial Charge Transfer Complexes Between TiO₂ and Flavonoids: Theoretical Study.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-10 DOI: 10.1002/cphc.202500058

Dušan N Sredojević, Miriama Malček Šimunková, Đorđe Trpkov, Miljana Dukić, Vesna Lazić, Michal Malček

{"title":"Exploring Novel Interfacial Charge Transfer Complexes Between TiO2 and Flavonoids: Theoretical Study.","authors":"Dušan N Sredojević, Miriama Malček Šimunková, Đorđe Trpkov, Miljana Dukić, Vesna Lazić, Michal Malček","doi":"10.1002/cphc.202500058","DOIUrl":"10.1002/cphc.202500058","url":null,"abstract":"The formation of interfacial charge transfer (ICT) complexes with suitable ligands is an effective method to improve the spectral properties of materials based on titanium dioxide (TiO2). In the presented work, six structurally different flavonoids are studied as potential ligands for synthesizing novel TiO2-based ICT complexes using density functional theory (DFT). The formation of stable bidentate Ti-O coordination between the TiO2 surface and studied flavonoids is confirmed by Bader's quantum theory of atoms in molecules (QTAIM) analysis. The calculated band gaps of the studied ICT complexes are within the range of 1.95-2.15 eV, which is significantly lower than the one of pristine TiO2 (3.20 eV) and it corresponds to the absorption in the visible spectral region. The lowest band gaps were found for the ICT complexes with flavonoids containing the OH group at position 3 of the C ring (myricetin, quercetin). The thermochemistry calculations revealed that the formed ICT complexes possess increased radical scavenging potential when compared to their parent flavonoids, which are well-known as naturally occurring antioxidants.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202500058"},"PeriodicalIF":2.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143584931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Studies of Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-05 DOI: 10.1002/cphc.202401142

Marta Pawlak, Joanna Drzeżdżon, Katarzyna N Jarzembska, Radosław Kamiński, Kacper Pobłocki, Janusz Datta, Dagmara Jacewicz

{"title":"Studies of Catalytic Activity of New Nickel(II) Compounds Containing Pyridine Carboxylic Acids Ligands in Oligomerization Processes of Selected Olefins and Cyclohexyl Isocyanide.","authors":"Marta Pawlak, Joanna Drzeżdżon, Katarzyna N Jarzembska, Radosław Kamiński, Kacper Pobłocki, Janusz Datta, Dagmara Jacewicz","doi":"10.1002/cphc.202401142","DOIUrl":"https://doi.org/10.1002/cphc.202401142","url":null,"abstract":"Catalysts based on nickel(II) ions, due to their high reactivity and easiness of ligand modification, are among the most widely used catalytic systems in the world, with applications in a variety of catalytic processes. Here we present research that led to the synthesis of new nickel(II) complex compounds containing nicotinic and isonicotinic acid ligands. Their catalytic properties have been studied in oligomerization processes of olefins and isocyanides and the obtained oligomers were subjected to qualitative and quantitative analysis to determine their physicochemical properties. The catalytic activity values achieved in the oligomerization of olefins, only in a few cases reached above 100 g·mmol-1·h-1·bar-1. However, the newly obtained catalytic systems showed very high (99%) and moderate (36%) efficiency in the oligomerization of cyclohexyl isocyanide. The conducted studies provide knowledge about the influence of modification of the main ligand and reaction conditions on the values of catalytic activity, process yields, as well as physicochemical properties of the obtained oligomers. Furthermore, it was possible to determine which of the processes carried out using the newly synthesized catalytic systems achieve better results and in which process they should be further used and developed.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202401142"},"PeriodicalIF":2.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143556014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular Insights into Alkali Metal Interaction with Redox Active Covalent Organic Framework as Cathode in Batteries.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-05 DOI: 10.1002/cphc.202400998

Rashi Jain, Sudhir Kumar Sahoo

引用次数: 0

Cover Feature: The Competition Between Cation-Anion and Cation-Triglyme Interaction in Solvate Ionic Liquids Probed by Far Infrared Spectroscopy and Molecular Dynamics Simulations (ChemPhysChem 5/2025)

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-04 DOI: 10.1002/cphc.202580502

Jule Kristin Philipp, Koichi Fumino, Andreas Appelhagen, Dietmar Paschek, Ralf Ludwig

引用次数: 0

BiFeO₃ as a Next-Generation Photocatalyst: Bridging Material Design with Environmental Remediation.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-04 DOI: 10.1002/cphc.202401092

Devender Jalandhara, Sanjeev Kumar, Sandeep Kumar, Rekha M M, S V Sharma, Sandeep Kaushal

{"title":"BiFeO₃ as a Next-Generation Photocatalyst: Bridging Material Design with Environmental Remediation.","authors":"Devender Jalandhara, Sanjeev Kumar, Sandeep Kumar, Rekha M M, S V Sharma, Sandeep Kaushal","doi":"10.1002/cphc.202401092","DOIUrl":"https://doi.org/10.1002/cphc.202401092","url":null,"abstract":"Bismuth ferrite (BiFeO₃) is a multiferroic perovskite material with a narrow band gap (~2.1 eV), demonstrating significant potential as a photocatalyst for environmental remediation and sustainable energy applications. Its photocatalytic capabilities include dye degradation, air purification, wastewater treatment, and hydrogen generation, all driven by its ability to harness visible light. This review critically examines the factors influencing the photocatalytic performance of BiFeO₃ (BFO) and its doped derivatives. Advances in synthesis techniques, such as sol-gel, hydrothermal, and combustion methods, are discussed concerning particle size, crystallinity, and surface modifications. Key strategies, including rare earth element doping, heterostructure formation, and co-catalyst integration, are explored for their role in enhancing charge separation and light absorption, achieving efficiency improvements of over 90 % in some cases. The mechanistic pathways of photocatalysis, with a focus on electron-hole dynamics and radical generation, are analyzed to provide deeper insights into material performance. Despite its potential, challenges such as limited stability and rapid recombination rates persist. This review identifies critical research gaps and proposes directions for optimizing BFO's design and scalability, reinforcing its relevance as a next-generation photocatalyst for addressing global environmental and energy challenges.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202401092"},"PeriodicalIF":2.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143556011","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cover Feature: Novel Class of Ambipolar Columnar Liquid Crystals Based on Cyclic Dipeptide and Isatin Hybrids (ChemPhysChem 5/2025)

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-04 DOI: 10.1002/cphc.202580503

Rahul Ahmed, Paresh Kumar Behera, Anjana K N, Anitha B, Alakananda Patra, Sandeep Kumar, Manoj AG Namboothiry, Ammathnadu Sudhakar Achalkumar

引用次数: 0

Evaluating Aromaticity in Ag6Ru and Ag10Ru as Electron Precise Superatom Clusters.

IF 2.3 3区化学

Chemphyschem Pub Date : 2025-03-04 DOI: 10.1002/cphc.202401118

Mesías Orozco Ic, Peter L Rodríguez-Kessler, Alvaro Muñoz-Castro

引用次数: 0