RSC – Phys. Chem. Chem. Phys. latest articles- Synthesis and performance study of potassium-based flame-retardant groups grafted onto nitrocellulose September 9, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02238J, PaperChangle Qu, Shiying Li, Chenzhao Gao, Zhongliang Xiao, Qingbo MaIn this study, modified nitrocellulose grafted with carboxymethyl potassium groups was synthesized through a two-step process, starting from the molecular structure of nitrocellulose (NC), the primary component of propellants.To cite this article before page numbers are assigned, use […]Changle Qu
- Conformational Analysis of Protonated N-Acetyl Hexosamines: Unexpected Methylation Effects from First-Principles and Machine Learning September 8, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02987B, PaperKenee Kaiser Suyo Custodio, Thi Truc Quyen Vo, Huu Trong Phan, Pei-Kang Tsou, Jer-Lai KuoElucidating the intricate 3D conformational behavior of inherently flexible carbohydrates is crucial for understanding their biological functions, yet it remains experimentally challenging. While traditional ab initio computational approaches, such as...The content of this […]Kenee Kaiser Suyo Custodio
- The Primary Photolysis of Acrylate September 8, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03023D, PaperJan ThOgersen, Akriti Mishra, Tobias Weidner, Frank JensenWe apply transient absorption spectroscopy supported by 2D-IR spectroscopy and density functional theory calculations to determine the primary photolysis of acrylate excited via the π CO * CO...The content of this RSS Feed (c) The Royal Society of […]Jan ThOgersen
- Unveiling additive effects on molecular packing and charge transfer in organic solar cells: an AIMD and DFT study September 8, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02678D, PaperXiang Li, Qingxing Wu, Qiuhua Liu, Zaichun Zhou, Guangjun Zhang, Wanqiang LiuAdditive assisted strategies play a crucial role in optimizing the morphology and improving the performance of organic solar cells (OSCs), yet the molecular-level mechanisms remain unclear.To cite this article before page numbers are assigned, use the […]Xiang Li
- Investigation of Methyl-vinyl Ketone, 2- and 3-Butenal Decomposition pathways through semi-automated Variable Reaction Coordinate Transition State Theory September 8, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01744K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Andrea Della Libera, Carlo CavallottiThe reactivity of unsaturated aldehydes and ketones is of interest both in combustion, as they are formed as intermediate species in the oxidation of biofuels, as well as […]Andrea Della Libera
- Doubly ionized 2,4-imidazolidinedione (Hydantoin) dissociations induced by electron collision, fragmentation thresholds vs vertical excitation energies September 8, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01613D, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.patrick moretto-Capelle, Anthony Scemama, Stephane Faure, Eszter Dudás, pierre cafarelli, Jean-Philippe ChampeauxThe double ionisation/dissociation process for a prebiotic molecule (hydantoin) induced by [20-40 eV] electron collisions was studied using time-of-flight spectrometry and […]patrick moretto-Capelle
- Low-Energy Modes and Localized Excitations in Metal Halide Perovskites: Insights from Heat Capacity September 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02842F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Ana Arauzo, Pelayo Marin-Villa, Kacper Druzbicki, María Concepción Sánchez, Felix Fernandez AlonsoMetal halide perovskites (MHPs) hold great potential to integrate future massproduced photovoltaic technologies owing to their exceptional power conversion efficiencies and […]Ana Arauzo
- Quantum Dynamics of C10H− in the Interstellar Medium: Inelastic Collisions with He and Formation Reaction from the HC10H / H− Reactants. September 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02685G, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jorge Alonso de la Fuente, Lola Gonzalez-Sanchez, Ersin Yurtsever, Cristina Sanz Sanz, Roland Wester, Mauro Satta, Francesco Antonio GianturcoThe anion C10H− is the largest of the linear (C,H)-bearing chains detected so far […]Jorge Alonso de la Fuente
- An Efficient Workflow for Generation of Conformational Ensembles of Density Functional Theory Quality: Dimers of Polycyclic (Hetero-)Aromatics September 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01010A, Tutorial Review Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jessica J Ortlieb, Nathanael J King, Alex BrownThe determination of geometries and relative energetics (binding as well as free energies) of ensembles of dimers, as well as for small n-mers, is […]Jessica J Ortlieb
- Controlling Er3+ multiphoton upconversion by synergistically regulating energy transfer and cross-relaxation for optical anti-counterfeiting September 7, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02682B, PaperYangyang Zhang, Zhengce An, Liping Lu, Xiaoyun MiThe synergistic effect of various ions with optical properties is an important method to regulate the Er3+ ion upconversion luminescence process.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS […]Yangyang Zhang
- Systematic growth of non-epitaxial ZnO shell over Ln3+–Li+ co-doped Y2O3 phosphor core September 7, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00156K, PaperShefali Jayswal, Rakesh S. MoirangthemGrowth of non-epitaxial ZnO shell over Ln3+–Li+ co-doped Y2O3 phosphor core by introduction of an amorphous layer to reduce the misfit strain between two lattice mismatched crystals.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this […]Shefali Jayswal
- Reversible thermochromism in violet-phase polydiacetylene derivatives triggered by ultraviolet photopolymerization September 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02612A, PaperChenxi Zhang, Chenlu HeA tetraphenylethylene (TPE)-functionalized diacetylene monomer undergoes direct violet-phase polydiacetylene (PDA) under 254 nm UV, bypassing conventional blue-phase formation. Steric constraints from the bulky TPE units force backbone distortion. The resulting...The content of this RSS Feed (c) The Royal Society of ChemistryChenxi Zhang
- Thermodynamic Models for Predicting and Correlating Solid-Liquid Phase Equilibrium September 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02059J, Review ArticleTianyang Li, Rui Zhao, Na Wang, Man Zhang, Yuan Gao, Hongxun Hao, Xin Huang, Ting Wang, Lina ZhouThermodynamic models are indispensable tools for predicting and analyzing the behavior of substances under varying temperature conditions. They provide crucial guidance for new process development, process optimization and process […]Tianyang Li
- Correction: Harnessing the polymer-particle duality of ultra-soft nanogels to stabilise smart emulsions September 7, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP90150B, Correction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alexander V. Petrunin, Steffen Bochenek, Walter Richtering, Andrea ScottiTo cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal […]Alexander V. Petrunin
- Recent Advances of Supports Modulating Molecular Electrocatalysis for Efficient Energy Conversion September 5, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02584B, Review ArticleXin Xu, Ye Zhou, Jiong WangThe escalating global energy crisis and environmental challenges urgently demand innovative technologies for sustainable energy conversion. Electrochemical technology shows great potential by converting small molecules into clean fuels and valuable...The content of this RSS Feed (c) The Royal Society of ChemistryXin Xu
- Liquid-liquid equilibrium and modelling insight: molecular interaction analysis of water + methanol + dimethyl carbonate + 1-ethyl-3-methylimidazolium methanesulfonate ternary systems September 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02239H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Juho-Pekka Johannes Laakso, Behnaz Asadzahed, Petri Uusi-Kyyny, Ville AlopaeusIn this work, ternary liquid-liquid equilibrium (LLE) was measured for water (H2O) + dimethyl carbonate (DMC) + 1-Ethyl-3-methylimidazolium ([Emim][MeSO3]) and methanol (MeOH) + DMC […]Juho-Pekka Johannes Laakso
- Time-resolved momentum imaging of UV photodynamics in structural isomers of iodopropane probed by site-selective XUV ionization September 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02929E, PaperFelix Allum, Yoshiaki Kumagai, Kiyonobu Nagaya, James Harries, Hiroshi Iwayama, Mat Britton, Phil H. Bucksbaum, Michael Burt, Mark Brouard, Taran Driver, Briony Downes-Ward, David Heathcote, Paul Hockett, Andrew Howard, Jason W.L. Lee, Yusong Liu, Edwin Kukk, Joseph McManus, Dennis Milesevic, Russell S Minns, Akinobu Niozu, Johannes Niskanen, […]Felix Allum
- Physicochemical characterization of polyoxyethylene (POE)-based nonionic surfactants in single and mixed micellar environments for anticancer drug solubilization enhancement September 4, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01291K, PaperVirendra Prajapati, Yashika Tomar, Gautam Singhvi, Debes Ray, Vinod Aswal, Ketan Kuperkar, Pratap BahadurSingle and mixed core–shell micelles from 5% w/v Soluplus® with other POE-based surfactants in varying weight fractions at 25 °C. Here, the CP stands for cloud point, Dh for hydrodynamic diameter, and Rc for […]Virendra Prajapati
- High Mobility and Low Exciton Binding Energy in Monolayer Cd2Cl2 for Efficient Photocatalytic Water Splitting September 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02498F, PaperShuaikang Wang, Rundong Wan, Dandan Mao, Hao Wei, Song Chen, Zhengfu Zhang, Mengnie Li, Tian Guo CaiTwo-dimensional (2D) materials generally suffer from high exciton binding energies and low carrier mobilities, limiting their applications in optoelectronics and photocatalysis. In this study, we systematically investigate the properties of...The content […]Shuaikang Wang
- Tailoring LaBO3 (B = Mn, Fe, Co, Ni) perovskite oxides for methanol-tolerant oxygen reduction reaction electrocatalysts September 4, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01963J, PaperShaikh Parwaiz, Fazlurrahman Khan, James Robert Jennings, Mohammad Hilni Harunsani, Young-Mog Kim, Mohammad Mansoob KhanTailoring LaBO3 (B = Mn, Fe, Co, and Ni) perovskite oxides for methanol-tolerant electrocatalysts for oxygen reduction reaction.To cite this article before page numbers are assigned, use the DOI form of citation above.The […]Shaikh Parwaiz
- Synthesis and performance study of potassium-based flame-retardant groups grafted onto nitrocellulose September 9, 2025
