RSC – Phys. Chem. Chem. Phys. latest articles- Spin multifunctional transport properties of C13 and C14 molecule-based molecular devices July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02370J, PaperYan Shenlang, Tong Chen, Mengqiu Long, Songbo XiongCyclocarbon molecules are promising candidates for molecular spintronics because they are newly synthesized carbon allotropes with excellent physical and chemical characteristics. Sun et al. (Nature, 2023, 623, 972-976) synthesized C14...The content of this RSS Feed (c) The Royal Society of […]Yan Shenlang
- Unveiling the Structure of Chlorine-Doped Graphdiyne via First-Principles X-ray Spectroscopy July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01588J, Paperzhu hq, Hai-Bo Li, Xiu-Neng Song, Yong MaChlorine-doped graphdiyne (Cl-GDY) exhibits exceptional properties, demonstrating significant potential for applications in energy storage, conversion and electrocatalysis. However, systematic investigations of the structural configurations of Cl-GDY remain scarce, both experimentally...The content of this RSS Feed (c) The Royal Society of […]zhu hq
- Selective, effective, and rapid removal of cationic and anionic organic dyes using various tailored polymer-coated (PEG, PVP, PAA/Starch) magnetite nanoparticles July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01875G, PaperHawra A. AlSabbagh, Kawthar M. AlDamestani, Wael A. Amer, Javed Iqbal, O. M. Lemine, Nawal Madkhali, Kheireddine El-BoubbouThe development of novel, selective, and effective nanosorbents that can efficiently eliminate both anionic and cationic organic dyes in wastewater treatment remains a challenge. Herein, we prepared different panels of...The […]Hawra A. AlSabbagh
- Intrinsic polarization mechanism of CCTO based on optimized Skanavi model with displacement fields modification July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00845J, PaperQin Xinrui, Pengfei Cheng, Hao 中国 Luo, kejia 中国 Geng, cuncun 中国 Kong, xin 中国 Liu, xueyan 中国 Su, Yao Heng Su, Dingze LuTo elucidate the microscopic origin of the giant dielectric properties in perovskite calcium copper titanate (CCTO), this study proposes a novel optimization of the […]Qin Xinrui
- Concepts and tools for integrating multiscale dynamics into reaction kinetics July 30, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00838G, PerspectiveToyin OmojolaConcepts are introduced for quantitatively incorporating multiscale dynamic processes into reaction kinetics during heterogeneous catalysis.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 of ChemistryToyin Omojola
- Emission of velocity correlated clusters up to Ag21+ induced by keV C60- impacting a silver surface July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02092A, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Eran Armon, Anatoly Bekkerman, Boris Tsipinyuk, Eli KolodneyEarlier measurements of the velocity correlated cluster emission ( VCCE) effect in keV C60- impact with a silver target ( Ag n+ (n=1-9) , E. […]Eran Armon
- Comparison of the solvation models COSMO and EC-RISM for the prediction of photoacidity in aqueous solution† July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01694K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ömer Faruk Can Tiska, Niklas Suelzner, Julia Haberhauer, Patrick Kibies, Stefan M. Kast, Christof HattigThe embedded cluster reference interaction site model (EC-RISM) and the conductor-like solvation model (COSMO) are compared in terms […]Ömer Faruk Can Tiska
- X-ray Photoelectron Spectroscopy of Surfactants on Sub-Micron Aqueous Aerosols July 30, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02126J, PaperAlexandra M. Deal, Alexander M. Prophet, Sorren Warkander, Madison M. Foreman, Pyeongeun Kim, Daniel M Neumark, Musahid Ahmed, Kevin Roger WilsonOrganic molecules at the aqueous interfaces of droplets and aerosols can influence multiphase chemistry, and cloud condensation nuclei activity. While surface tension measurements on flat surfaces are […]Alexandra M. Deal
- Machine learning design of spectral-selective infrared metasurfaces based on Conway patterns July 29, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01823D, PaperChengyu Xiao, Jing Li, Wansu Hua, Yifan Zhang, Han ZhouThe ML-driven platform that leverages Conway-inspired cellular automata patterns.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 of ChemistryChengyu Xiao
- Spatially controlled plasmon-induced photopolymerization at the apex of gold nanobipyramids: paving the way for 3D nanofabrication July 29, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02133B, PaperAmine Khitous, Céline Molinaro, Loic Vidal, Stephania Abdallah, Anthony Désert, Frédéric Lerouge, Jean-Pierre Malval, Stephane Parola, Olivier SopperaWe reveal 3D near-field photopolymerization at the tips of gold nanobipyramids, enabling precise nanometric polymer structuring shown by TEM.To cite this article before page numbers are assigned, use the DOI […]Amine Khitous
- The mechanism of high pressure-induced phase transition in titanium dioxide: ab initio molecular dynamics simulations July 29, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01805F, PaperZihe Cao, Yidong Zhao, Zonghu Ma, Xiaolu Chen, Kai Li, Qiang Lu, Bing ZhangAb initio molecular dynamics simulations reveal the high-pressure phase transition mechanism from anatase to baddeleyite, uncovering new intermediate structures and highlighting the size effect on the transition barrier.To cite this article before page numbers […]Zihe Cao
- Quantum entanglement control in two-spin-1/2 NMR systems through magnetic fields and temperature July 29, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02597D, PaperFatemeh Khashami, Stefan GlögglerEntanglement in NMR systems beyond the threshold temperature and the emergence of quantum phase transition.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 of ChemistryFatemeh Khashami
- Conformer specific photophysical properties of an analog of the green fluorescent protein chromophore anion † July 29, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02407B, PaperA G Lauridsen, Anne Pilgaard Rasmussen, N Klinkby, Lars Henrik AndersenWe present a spectroscopic study of a cryogenically cooled GFP chromophore derivative with an additional OH group attached to the phenol ring at the ortho position. Using a depletion technique,...The content of this RSS Feed (c) The […]A G Lauridsen
- Absorption properties of boron nitride quantum dots: Effects of solvents July 29, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01551K, PaperEvgeniy Sidorov, Ilia Олегович Simonenko, Nikolai Chtchelkatchev, Elena Gribova, Irina Fadeykina, Pavel Pavlovich Gladyshev, Rashid Giyasovich NazmitdinovBoron nitride quantum dots combine several unique properties, including chemical stability, biocompatibility, and low cytotoxicity. These properties and tunable optical characteristics make them promising for the use in boron neutron...The content […]Evgeniy Sidorov
- Time-resolved vSFG of the Water-air Interface in an External Field July 29, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01877C, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Deepak Ojha, Thomas D. KühneIn the present work we have studied the effect of an external electric field of strength ± 0.01 V/˚A on the water molecules at the water-air interface using […]Deepak Ojha
- Tracking electron motion driving the Suzuki-Miyaura cross-coupling reaction July 29, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01959A, PaperNoriyuki Takai, Takuro Tsutsumi, Tetsuya Taketsugu, Takao TsunedaThe electron motion driving the transmetalation process of the Suzuki-Miyaura cross-coupling reaction is elucidated based on the reactive orbital energy theory (ROET). We investigated the transmetalation process in the palladium-catalyzed...The content of this RSS Feed (c) The Royal Society of […]Noriyuki Takai
- Investigating dose rate effects and reactive species formation in irradiated multilayer films – part 1 EVA/EVOH/EVA July 29, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D4CP04152F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Blanche Krieguer, Samuel Dorey, Nathalie Dupuy, Fabien Girard, Florent Kuntz, Nicolas Ludwig, Sylvain R. A. MarqueThis study investigates the effects of gamma rays, X-rays, and electron beams on ethylene vinyl acetate (EVA) […]Blanche Krieguer
- Fluorine Position-Dependent Ionization Dynamics and Structural Distortion in 2,3-Difluoropyridine: A VUV-MATI and Theoretical Study July 28, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02425K, PaperHyojung Kim, Sung Man Park, Chan Ho KwonPyridine derivatives are integral to fields such as organic chemistry, materials science, and pharmaceuticals owing to their distinct electronic and structural properties. While fluorine substitution on the pyridine ring is...The content of this RSS Feed (c) The Royal Society of […]Hyojung Kim
- Linear–Cyclic Isomer Competition in Protonated Ethanol–Methanol Clusters Probed by Infrared Spectroscopy and Deep Learning Structural and Dynamical Simulations July 28, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02353J, PaperPo-Jen Hsu, Atsuya Mizuide, Jer-Lai Kuo, Asuka FujiiThe competition between linear and cyclic isomer structures in the protonated ethanol tetramer has been investigated using spectroscopic and theoretical approaches. Infrared spectroscopy of protonated ethanol–methanol mixed tetramers, cooled by...The content of this RSS Feed (c) The Royal Society of […]Po-Jen Hsu
- Rapid-scan electron paramagnetic resonance spectroscopy of nitroxide based spin systems July 28, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00990A, PerspectiveFlorian Johannsen, Malte DrescherRapid-scan (RS) electron paramagnetic resonance (EPR) spectroscopy combined with site-directed spin-labeling (SDSL) is a powerful tool for investigating fast kinetics on biologically relevant timescales.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed […]Florian Johannsen
- Spin multifunctional transport properties of C13 and C14 molecule-based molecular devices July 30, 2025
