RSC – Phys. Chem. Chem. Phys. latest articles- On the Origin of Fragments Observed in Electron Ionisation Mass Spectrometry of Water Clusters in Superfluid Helium Nanodroplets. Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02978C, PaperRiya Gupta, Sujan Singha, Yashika ., Devendra ManiIn this study, we formed water clusters inside superfluid helium nanodroplets and analysed them using electron ionisation mass spectrometry. The resulting mass spectrum has strong features, corresponding to H^+ (H_2...The content of this RSS Feed (c) The Royal Society of […]Riya Gupta
- Quantum Nanoplasmonic Alchemy: Transforming Yttrium into an On-Chip Hydrogen Sensor Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01344E, PaperT. Senthil Siva Subramanian, ADITYA NARAYAN Narayan SINGH, Kyung-Wan Nam, Manjunath KrishnappaWe numerically demonstrate a nanoplasmonic hydrogen sensor based on a gold-yttrium-platinum plasmonic waveguide, utilizing Rigorous Coupled Wave Analysis (RCWA) to analyze its optical response. A thin yttrium layer, upon hydrogen...The content of this RSS Feed (c) […]T. Senthil Siva Subramanian
- Molecular Dynamics study of polymeric photoactuators: coupling between photochemical reaction and polymer relaxation. Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02807H, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Marta Serrano Martinez, Nicolas Pineau, Claire Lemarchand, Aurelie PerrierPhotoactuators are materials that can change their own macroscopic shape to perform mechanical work, when subjected to a light stimulus. In this study, we […]Marta Serrano Martinez
- The coexistence and transformation of topological phonon states in NiAsS with strain regulation Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02444G, PaperQing Lu, Mengshan Cao, Fu-ti Liu, Cai ChengThe exploration and manipulation of topological states have long been a hotspot in condensed matter physics and materials science. In electronic topological systems, related research has been relatively mature, while...The content of this RSS Feed (c) The Royal Society of […]Qing Lu
- Enhancement of Complexation due to the Effect of a Bath: A van der Waals Complex in N2 Bath Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02572A, PaperManju Siyaram Yadav, Amit PaulIn the present computational approach, the detail analysis of association followed by ensuing dissociation reaction of excited benzene (Bz) and hexafluorobenzene (HFB) system at 1000 K is performed in condensed...The content of this RSS Feed (c) The Royal Society of ChemistryManju Siyaram Yadav
- Light-induced photoluminescence enhancement in semiconductor nanomaterials: mechanisms and influencing factors Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02328A, Review ArticlePan Liang, Zhijun Liu, Tianqing Jia, Zhenrong Sun, Rongrong Hu, Donghai FengThis review comprehensively summarizes the factors contributing to light irradiation-induced photoluminescence enhancement in semiconductor nanomaterials.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed […]Pan Liang
- Hydrogen storage performance of TPO-Graphene system: first-principles calculations Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02818C, PaperLai Xu, Yuhong Chen, Kongyang Zhao, Jiaxiu Li, Ruifang Gao, Ruonan FengAmong the many forms of graphene and its derivatives, TPO-Graphene (TPOG) exhibits good thermodynamic, mechanical stability and uniform pore size, making it a promising candidate for hydrogen storage. In this...The content of this RSS Feed (c) […]Lai Xu
- Electronic Structure and Chemical bonding of the MoBe molecule Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03025K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Constantinos Demetriou, Demeter TzeliMolybdenum beryllium materials are being researched and applied in cutting-edge technologies. It has been found that beryllium, even though it has a full 2s subshell, can form a variety […]Constantinos Demetriou
- Decomposition dynamics of peroxide by a redox mediator-anchored doped graphene catalyst in a Li–O2 battery Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02363G, PaperBibhuti Bhusan Behera, Bhabani S. MallikDMSO solvent and tetrachloroquinone (TCQ) redox mediator synergistically promote Li2O2 decomposition at the electrode-electrolyte interface via forming LiO2(DMSO)3 and Li(DMSO)4 complex in Li–O2 batteries.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this […]Bibhuti Bhusan Behera
- High-performance electronic and thermoelectric devices based on ferroelectric In2Se3/antimonene heterostructure Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02951A, PaperAnwar Ali, Wen Zhang, Iqtidar Ahmad, Bin Lu, F. F. Al-Harbi, Ismail ShahidInspired by the exceptional electronic characteristics of 2D antimonene (Sb) and ferroelectric In2Se3, the electronic and thermoelectric properties of the In2Se3/Sb heterostructure are investigated via first-principles and Boltzmann transport calculations.To cite this article before page […]Anwar Ali
- Modelling Phosphate Hydration with a Polarizable Bond-Dipole Framework: Parameter Optimization and Benchmark Testing Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02569A, PaperShan-Shan Gao, Meng-Yao Bai, Xiao-Nan Jiang, Lei Wang, Xiao-Lei Li, Qiang Hao, Chang-Sheng WangA polarizable interaction model based on bond-centered dipoles (PBFF) has previously been applied to model a range of molecular systems. In this study, the model is extended to hydrated phosphate...The content of this RSS […]Shan-Shan Gao
- Theoretical study on the selective adsorption of SF6/N2 by covalent triazine frameworks Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01936B, PaperChengfeng Liang, Shumin Chen, Rui Zhao, Kunqi Gao, Xiangyu Yin, Linxi HouStacking mode: Explore the adsorption and separation performance of SF6/N2.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 ChemistryChengfeng Liang
- The Simulation of X-ray Absorption Spectra Including Vibronic Coupling: Application of the QD-DFT/MRCI(2) Method Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02832A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Martha Yaghoubi Jouybari, Simon Neville, Michael S. SchuurmanWe here demonstrate the accuracy and computational efficiency of the recently introduced QD-DFT/MRCI(2) formalism [J. Chem. Phys., 2024, 160, 234109.] for the direct calculation of […]Martha Yaghoubi Jouybari
- Five Structures of the Pro-Gly Dipeptide Unveiled by Laser Ablation Rotational Spectroscopy Tháng 10 14, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01899D, PaperIker León, Elena Rita Alonso, Sofía Municio, Sergio Mato, Marco Mendolicchio, Santiago Mata, Carlos Cabezas, Vincenzo Barone, Jose Luis AlonsoHerein, for the first time, solid samples of Pro-Gly have been vaporized by laser ablation (LA), and a chirped pulse Fourier transform microwave spectrometer (CP-FTMW) has been employed […]Iker León
- Theoretical Study of Cu-ⅢA Binary Alloy Catalysts for Electrochemical Nitrate Reduction to Ammonia Tháng 10 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02488A, PaperQingchao Fang, Dimuthu Wijethunge, Yun Han, Md. Tarikal Nasir, Xuxin Kang, Hanqing Yin, Aijun DuElectrocatalytic reduction of nitrate to ammonia (NO3RR) emerged as a promising approach for wastewater purification and NH3 electrosynthesis. Unfortunately, the catalytic performance of electrocatalysts is hindered by poor activity and...The content of this […]Qingchao Fang
- The anomalous nature of fluorine revisited: Amazing consequences Tháng 10 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03714J, PerspectiveJane S. MurrayThis short survey involving fluorine as an atom and as a partner in molecules/ions and its applicability to many fields begins with its discovery by Henri Moissan in 1886, for...The content of this RSS Feed (c) The Royal Society of ChemistryJane S. Murray
- Monoterpene Flash Pyrolysis Reveals Weakly Coupled Mechanistic Domains and Fleeting Biradical Intermediates Tháng 10 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03144C, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Edgar White Buenger, Maximiliano Burgos Paci, Andras Bodi, Paul M MayerThe monoterpenes α-pinene, β-pinene, and limonene were in-vacuum flash pyrolyzed at 950 °C in a microreactor and the pyrolysis products were ionized […]Edgar White Buenger
- Tuning linear dichroism/birefringence (LDLB) contributions in VCD spectra of tartaric acid-TPPS4 porphyrin films Tháng 10 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03069B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Giuseppe Mazzeo, Marco Fusè, Sergio Abbate, Roberto Zagami, Maria Angela Castriciano, Andrea Romeo, Luigi Monsù Scolaro, Giovanna LonghiVibrational circular dichroism (VCD) is employed to investigate chiral-templation of D and L tartaric acids […]Giuseppe Mazzeo
- Influence of Three-Body Effects on Halogen Bonding Tháng 10 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02809D, PaperSharon A. Ochieng, Konrad PatkowskiWe construct a new noncovalent benchmark dataset 3BXB that combines halogen-bonded bimolecular complexes from the SH250 dataset [Kriz and Rezac, Phys. Chem. Chem. Phys., 2022, 24, 14794] with a third...The content of this RSS Feed (c) The Royal Society of ChemistrySharon A. Ochieng
- Influencing Iron Homeostasis by Transition Metal Complexes Interacting with a messenger-RNA Stem Loop in the Iron Regulating Element. Tháng 10 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02185E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Cécilia Hognon, Aurane Froux, Stéphanie Grandemange, Antonio MonariThe maintaining of the precise regulation of iron homeostasis is fundamental to assure cells viability. In this context the interplay between the messenger RNA Iron […]Cécilia Hognon
- On the Origin of Fragments Observed in Electron Ionisation Mass Spectrometry of Water Clusters in Superfluid Helium Nanodroplets. Tháng 10 14, 2025
