RSC – Phys. Chem. Chem. Phys. latest articles- Understanding the Carbonization-Controlled Microstructure Regulation in Coal-Based Hard Carbon for Strengthen Sodium Storage Performance May 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00568J, PaperYu Zhao, Ruyi Zhang, Jian Hao, Xiao Yang, Jianing Chen, Junli Guo, Caixia ChiHard carbon materials have emerged as one of the promising anode materials for sodium-ion batteries (SIBs) due to their abundant resource, low cost, and tunable pore structures. However, the relationship...The content of this RSS […]Yu Zhao
- Exploring the trans effect of NH3 ligand in platinum halide complexes Pt(NH3)ClX2ˉ (X=Cl, Br, I) using cryogenic photoelectron spectroscopy and quantum chemical calculations May 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00807G, PaperQixu Zhao, Jian Zhang, Xueying Li, Peng Tang, Fan Yang, Junyang Ma, Zhubin Hu, Haitao Sun, Xue-Bin Wang, Zhenrong Sun, Yan YangCryogenic anion photoelectron spectroscopy, combined with quantum chemical calculations, was employed to investigate PtClX₂⁻, Pt(NH₃)ClX₂⁻ (X = Cl, Br, I), and their isomers. Photoelectron spectra recorded […]Qixu Zhao
- Design of donor-π-acceptor type cyclo[18]carbon derivatives for infrared nonlinear optical materials: A theoretical perspective May 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00736D, PaperJingbo Xu, Jiaojiao Wang, Xiaohui Chen, Wenwen Zhao, Xiufen Yan, Zeyu Liu, Tian Lu, Aihua YuanThe geometries, electronic structures, photophysical properties, and optical nonlinearities of four cyclo[18]carbon (C18) derivatives containing hydrogen (-H), amino (-NH2) and/or nitro (-NO2) groups were theoretically explored. The carbon-atom skeleton of...The content of […]Jingbo Xu
- Research on the reaction mechanistic and molecular stacking of acid catalyzed naphthalene to prepare mesophase pitch May 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01024A, PaperXi Fan, Qiang Ren, Wenkai WeiMesophase pitch (MP) acts as a crucial precursor for the production of high-performance carbon materials. The initial step in MP generation involves the formation of planar condensed polycyclic aromatic hydrocarbon...The content of this RSS Feed (c) The Royal Society of ChemistryXi Fan
- A comparative study of CO2 adsorption in a series of zeolites May 7, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00538H, PaperLoïc Bénariac-Doumal, Irena Deroche, Habiba Nouali, Jean-Louis Paillaud, Taylan Ors, Andrew N. Fitch, Catherine DejoieCO2 adsorption in a series of zeolites with four distinct sites is investigated through structural modeling, combining the Toth isotherm and Monte Carlo simulations to refine the understanding of host–guest interactions.To cite this […]Loïc Bénariac-Doumal
- Efficient Fluorescence Emission from Protonated 1,3,4-Oxadiazole Derivatives with Meta Dimethylamino Substitution May 7, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D4CP04635H, PaperYuhan Wang, Weitao Zheng, Binglian Bai, Jungang Cao, Jia-Rui Wu, Haitao Wang, Min LipH-sensing materials are vital in fields such as healthcare, environmental monitoring, and industrial processes, due to their ability to detect and respond to changes in acidity and alkalinity. However, many...The content of this RSS […]Yuhan Wang
- Two-Step Insertion/Release of Electrolytic Cations in Redox-Active Hydrogen-Bonding Nanoporous Coordination Crystals May 6, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01130B, Communication Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Makoto Tadokoro, Ryota Nishimura, Hajime Kamebuchi, Fumiya Kobayashi, Jun Miyazaki, Masa-aki HagaSolid-state cyclic voltammetry (CV) of redox-active H-bonding {[RuIII(Hbim)3]}n (1) 1-D nanoporous crystals were performed using single crystals in MeCN solutions containing […]Makoto Tadokoro
- Quantum Control of Photoion Circular Dichroism Using Orthogonal Laser Beams May 6, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01127B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jason Blair Greenwood, Leah DonnellyThe circular dichroism manifested in the photoionization yields of the chiral molecule fenchone has been investigated using two laser beams of different wavelengths intersecting at 90 degrees. This […]Jason Blair Greenwood
- Constructing heterophase structures of α-Cu2V2O7/β-Cu2V2O7 to enhance photovoltaic and photocatalytic properties May 6, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00244C, PaperYong Hu, Xiansheng Liu, Jianjun Tian, Chaoyang Kang, Feng Zhang, Erjun Liang, Weifeng Zhangα-Cu2V2O7 is a rare type of negative thermal expansion materials with weak photoelectric property. It is meaningful to enhance its photoelectric property while tailoring thermal expansion for stable photoelectric conversion...The content of this RSS […]Yong Hu
- The role of branching on the ultrafast dynamics and 2-photon absorption of two pyrimidine push-pull molecules May 6, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00589B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Alexandros Katsidas, Michaela Fecková, Filip Bureš, Sylvain Achelle, Mihalis FakisThe dynamics and 2-photon absorption (2PA) properties of two pyrimidine chromophores are studied by means of femtosecond time-resolved fluorescence and 2-photon excited fluorescence […]Alexandros Katsidas
- Alterations in vibrational spectra of adsorbed water in MIL-101(Cr) and functionalized MIL-101(Cr) using molecular simulations May 6, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00878F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Gunjan Auti, Hao Jiang, Jean-Jacques Delaunay, Hirofumi DaigujiThe vibrational dynamics of adsorbed water, as reflected in its vibrational density of states (VDOS) spectra, differ significantly from those of bulk water. This study […]Gunjan Auti
- Identifying Key Descriptors in ZrSe2/HfSe2-based Heterostructure and Superlattice for Enhancing Thermoelectric Performance May 6, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D4CP04837G, PaperTanu Choudhary, Satarupa Banik, P. M. Jipin, Raju Kumar BiswasEngineering heterostructure (HS) and superlattice monolayer (SLM) with trigonal symmetry not only provide versatile platforms for exploring material chemistry, it also furnish avenues to thoroughly examine carrier transport mechanisms in...The content of this RSS Feed (c) The Royal […]Tanu Choudhary
- Proton transfer kinetics modulated by single-residue substitution in photobasic FR-1V/hCRABPII May 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00710K, PaperJiajia Meng, Gaoshang Li, Xiaolu Bai, Siteng Zhao, Jin Dai, Yin Song, Xubiao Peng, Qing ZhaoFluorescent proteins with large Stokes shifts have become indispensable in biological imaging due to their improved signal-to-noise ratio and reduced self-absorption.To cite this article before page numbers are assigned, use the DOI […]Jiajia Meng
- Vetting molecular candidates posited for the first diffuse interstellar bands (5780 and 5797 Å): a quantum chemical study May 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D4CP04023F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Halis Seuret, Ailish D. Sullivan, Cercis Morera-Boado, Tina A. Harriott, Daniel Majaess, Lou Massa, Chérif F. MattaDiffuse interstellar bands (DIBs) comprise over 550 celestial absorption features whose molecular carriers remain largely unidentified […]Halis Seuret
- A computational study on the photophysics of methylpheophorbide a May 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D4CP04829F, PaperHernán Rueda Bueno, Julio R. Pinzón, Martha C. Daza, Markus DoerrA time-dependent density functional study of the radiative and non-radiative photophysical processes in the photosensitizer methylpheophorbide a is presented.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this […]Hernán Rueda Bueno
- Peroxymonosulfate activated M-MOF-74 (M = Co, Fe, Ni) visible light photocatalysts for methylene blue degradation enhancement May 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00544B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jiaqi Li, Yidan Zhang, Pingyu Luo, Chun Li, Fanming Zeng, Tiantian Sun, Hanhui Lei, Xiaoteng Liu, Chunbo LiuPersulphate-based advanced oxidation technology efficiently and cost-effectively removes organic dyes from water but designing stable […]Jiaqi Li
- Investigation of the structure and dynamics of amorphous calcium carbonate by NMR: stabilization by poly-aspartate and comparison to monohydrocalcite May 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01002K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Sanjay Vinod-Kumar, Albert A. Smith-Penzel, Venkata SubbaRao Redrouthu, Maxim B. Gindele, Denis Gebauer, Guinevere MathiesThe chemical environments of the 1H and 13C nuclei in amorphous calcium carbonate are surprisingly similar to those […]Sanjay Vinod-Kumar
- Applications of the density functional method combined with the electron-positron correlation-polarization potential to positron binding to hydrocarbons and water clusters May 5, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00893J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Daisuke Yoshida, Toshiyuki Takayanagi, Yukiumi Kita, Tomomi Shimazaki, Masanori TachikawaWe present benchmark calculations using the electron-positron correlation-polarization potential (CPP) method with the atomic polarizability model to evaluate the positron affinities of key […]Daisuke Yoshida
- Recent advances in dopant–matrix afterglow systems: high-performance organic afterglow materials and the critical role of organic matrices in materials fabrication May 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D4CP04641B, Review ArticleYue Zhang, Zhe Mo, Zi Ye, Qianqian Yan, Xixi Piao, Jialiang Jiang, Biao Xu, Kaka ZhangRecent advances in organic afterglow materials, especially dopant–matrix systems, highlight the synergy between luminophore design and matrix function, offering new opportunities for persistent luminescence and future high-value applications.To cite this article […]Yue Zhang
- CO oxidation on bimetallic Re-Pt clusters: Unraveling the role of oxygen coverage May 5, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00995B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Andrés Felipe Álvarez García, Ignacio L Garzon, Luis M. MolinaReOx and PtOx clusters are able to catalyze the CO oxidation under mild pressure and temperature conditions. One possible way of designing novel […]Andrés Felipe Álvarez García
- Understanding the Carbonization-Controlled Microstructure Regulation in Coal-Based Hard Carbon for Strengthen Sodium Storage Performance May 7, 2025
