RSC – Phys. Chem. Chem. Phys. latest articles- Molecular Dynamics of Synergistic Behavior at the Air-Water Interface: Mixed Cationic-anionic Fluorocarbon-Hydrocarbon Surfactants Tháng Hai 22, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04417G, PaperXiaolong Quan, Jing Xiong, Tong Tong, Jinqing Jiao, Jian-Ping Zou, Yuechang WeiEcological concerns surrounding conventional aqueous film-forming foam extinguishing agents, predominantly composed of long-chain fluorocarbon surfactants, have spurred the need for innovation in eco-compatible substitutes, such as short-chain fluorocarbon surfactants. Molecular...The content of this RSS Feed (c) […]Xiaolong Quan
- A concise, efficient and accurate method for calculating the solid-liquid interfacial free energy Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04346D, CommunicationYongquan Wu, Hang Cheng, HuaXing Miao, Kai Zhang, Jinglin YouThe solid-liquid (SL) interfacial free energy (IFE) is a pivotal property in many scenarios in physics, chemistry and even materials science. However, current experimental measurements and theoretical calculations of the...The content of this RSS Feed (c) The Royal […]Yongquan Wu
- Theoretical study on the kinetic behavior of Np(VI) reduction with hydroxylamine and its derivatives: substituent effect Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04616A, PaperXin Huang, Qun-Yan Wu, Congzhi Wang, Jianhui Lan, Hongqing Wang, Weiqun ShiSpent fuel reprocessing entails controlling the valence state of Np and its direction in the Plutonium-Uranium Reduction Extraction (PUREX) process. Hydroxylamine (HA) and its derivatives are effective salt-free reductants that...The content of this RSS Feed (c) […]Xin Huang
- Anomalous membrane organization by omega-6 and omega-9 fatty acids Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04370G, PaperSudha Porte, Swaratmika Pandia, Ankita Joardar, Deepashri Saraf, Aadil Pinjari, Hirak Chakraborty, Durba SenguptaOmega fatty acids are being marketed as healthy food supplements as they have been implicated in multiple pathophysiological conditions such as reducing plaque formation of Aβ peptide and inhibiting SARS-CoV-2...The content of this RSS […]Sudha Porte
- Deciphering the full-length PrPC(23-231) Receptor and Characterizing the Size/Subphase-Dependent Impact of Aβ Oligomers on the PrPC(23-231) Receptor: Insights from Molecular Dynamics Simulations Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04813J, PaperChuanbo Wang, Mengke Jia, Yvning Guan, Sajjad Ahmad, Jinfei Mei, Hongqi AiAs one of the cell surface receptors, cellular prion protein (PrPC) can bind Aβ oligomers (AβOs) and attenuate its neurotoxicity. However, there is still considerable controversy regarding the PrPC-AβO interaction,...The content of this RSS Feed (c) […]Chuanbo Wang
- Molecular Dynamic simulation study on Hydrocarbon ladder polymer membranes for gas separation Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04588B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Wenxuan Tian, Lidong Gong, Chunyang Yu, Yongfeng ZhouTo address global environmental challenges and support the transition of energy systems, the study of CO2 capture and separation is at the fore front of […]Wenxuan Tian
- Quad-narrowband perfect absorption in near infrared for optical switching and sensing baesd on quasi-bound state in the continuum Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D5CP00012B, PaperYuanwen Deng, Boxun Li, Lili Zeng, Qiang Wang, Zhengchao Ma, Yang Fan, Zhengzheng Shao, Chaosheng DengThe absorption of light based on quasi-BICs is a significant factor influencing the performance of solar cells and photodetectors. Nevertheless, the development of multiple narrowband perfect absorbers remains a significant...The content of […]Yuanwen Deng
- Decomposition pathways of isoprene-derived hydrotrioxides and their clustering abilities in the atmosphere Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04329D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Emelda Ahongshangbam, Lauri Franzon, Thomas Golin Almeida, Galib Hasan, Benjamin Frandsen, Nanna MyllysIn atmospheric gas-phase chemistry, hydrotrioxides (ROOOH) are formed as intermediates in the reactions of peroxyl radicals (RO2) with OH radicals, […]Emelda Ahongshangbam
- Temperature-stable tunneling current in serial double quantum dots: insights from nonequilibrium green functions and Pauli spin blockade Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D4CP04224G, PaperDavid M. T. KuoWe theoretically investigate charge transport through serial double quantum dots (SDQDs) with strong electron correlations using nonequilibrium Green's function techniques.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society […]David M. T. Kuo
- Control of circular dichroism in ion yield of 3-methyl cyclopentanone with femtosecond laser pulses Tháng Hai 21, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04572F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Sagnik Das, Jayanta Ghosh, Vaseudevan Sudheendran, Simon Ranecky, Tonio Rosen, Nicolas Ladda, Han-gyeol Lee, Till-Jakob Stehling, Fabian Westmeier, Jochen Mikosch, Arne Senftleben, Thomas Baumert, Hendrike BraunCircular dichroism (CD) in ion yield in […]Sagnik Das
- Expanded ensemble predictions of toluene–water partition coefficients in the SAMPL9 LogP challenge Tháng Hai 20, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03621B, PaperSteven Goold, Robert M. Raddi, Vincent VoelzThe logarithm of the partition coefficient (logP) between water and a nonpolar solvent is useful for characterizing a small molecule's hydrophobicity. For example, the water–octanol logP is often used as...The content of this RSS Feed (c) The Royal Society of ChemistrySteven Goold
- Gas-phase, conformer-specific infrared spectra of 3-chlorophenol and 3-fluorophenol Tháng Hai 20, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04352A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Olga Anna Duda, Gerrit Groenenboom, Daniel A. Horke, Joost BakkerConformational isomerism of phenol derivatives has been a subject of extensive spectroscopic study. Combining the capabilities of the widely tuneable infrared free-electron laser […]Olga Anna Duda
- Molecular conformational effects on the overall rate constant and the branching ratios of the n-heptane + OH reaction: An ab initio and variational transition state theory study Tháng Hai 20, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D5CP00301F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Myriam Belmekki, Manuel Monge Palacios, Tairan Wang, Subram Mani SarathyThe oxidation of fuels by hydroxyl radical (OH) is a crucial initiation step in both combustion and atmospheric processes. In the present work, […]Myriam Belmekki
- Towards detection of molecular parity violation via chiral co-sensing: the 1H/31P model system Tháng Hai 20, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D5CP00126A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Erik Van Dyke, James Eills, Kirill Sheberstov, John Blanchard, Manfred Wagner, Andrés Emilio Wedenig, Konstantin Gaul, Robert Berger, Denis Kargin, Rudolf Pietschnig, Danila A. Barskiy, Dmitry BudkerFundamental weak interactions have been shown […]Erik Van Dyke
- Ligand-mediated interaction in a dispersion of lead-halide perovskite nanocubes: implications on directed structures in equilibrium Tháng Hai 19, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D4CP04012K, PaperAvik Sasmal, Edwine Tendong, Tanusri Saha-Dasgupta, Jaydeb ChakrabartiInspired by experimental findings on ordered nanostructures of ligand-coated Cs–Pb-halide nanoparticles, we use DFT, MD, metadynamics, and MC simulations to explore their formation mechanisms.To cite this article before page numbers are assigned, use the DOI form of citation above.The content […]Avik Sasmal
- Assessing residual stress generation and entrapment in glass-to-metal seals: Role of glass solidification during the cooling process Tháng Hai 19, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP03661A, PaperKeqian Gong, Chao Zhou, Zheng Liu, Zifeng Song, Zhangjing Shi, Weisong Zhou, Yong ZhangGlass-to-metal (GTM) seals present significant challenges due to residual stress (RS) in engineering applications. While previous studies have focused primarily on analyzing the final RS distribution, this work uniquely explores...The content of this RSS […]Keqian Gong
- High energy electron beam irradiation on the electrolyte enables fast-charging of lithium metal battery with long-term cycling stability Tháng Hai 19, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D5CP00021A, PaperMiaomiao Yu, Qiaoan Liu, Yuxin Rao, Huasong Wang, Pengfei Liu, Xue Li, Yan Zhang, Shan FangElectron beam (E-beam) irradiation serves as a pivotal tool within the realms of materials science, nanotechnology, and microelectronics. Its application is instrumental in altering the physical and chemical properties of...The content of […]Miaomiao Yu
- Exploring Coinage Bonding Interactions in [Au(CN)₄]⁻ Assemblies with Silver and Zinc Complexes: A Structural and Theoretical Study Tháng Hai 19, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04818K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alessia Giordana, Emanuele Priola, Ghodrat Mahmoudi, Esmail Doustkhah, Rosa Maria Gomila, Ennio Zangrando, Eliano Diana, Lorenza Operti, Antonio FronteraThis study investigates the non-covalent interactions between [Au(CN)₄]⁻ anions and silver and zinc complexes, […]Alessia Giordana
- Framework for designing main-group single-molecule magnets Tháng Hai 19, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP04790G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Akseli Mansikkamäki, Anand Chekkottu ParambilSingle-molecule magnets (SMMs) are molecular entities with strongly anisotropic magnetic moment. As a result, SMMs display slow relaxation of magnetization at the macroscopic scale. Up to date all […]Akseli Mansikkamäki
- Nano-wire Spin Hall Oscillator Fabricated by Novel Side-wall Transfer Lithography Tháng Hai 19, 2025Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D5CP00447K, CommunicationJialin Shi, Chenglong Zhang, Zhenhu Jin, Jiamin ChenSpin Hall nano oscillators (SHNOs) have garnered significant attention in the field of spintronics in recent years, particularly for their potential in neuromorphic computing. However, their sensitive regions, often below...The content of this RSS Feed (c) The Royal Society of […]Jialin Shi
- Molecular Dynamics of Synergistic Behavior at the Air-Water Interface: Mixed Cationic-anionic Fluorocarbon-Hydrocarbon Surfactants Tháng Hai 22, 2025
