RSC – Phys. Chem. Chem. Phys. latest articles- Understanding the Carbonization-Controlled Microstructure Regulation in Coal-Based Hard Carbon for Strengthen Sodium Storage Performance Tháng 5 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
- Identifying Key Descriptors in ZrSe2/HfSe2-based Heterostructure and Superlattice for Enhancing Thermoelectric Performance Tháng 5 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
- The role of branching on the ultrafast dynamics and 2-photon absorption of two pyrimidine push-pull molecules Tháng 5 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 Tháng 5 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
- Quantum Control of Photoion Circular Dichroism Using Orthogonal Laser Beams Tháng 5 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 Tháng 5 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
- Two-Step Insertion/Release of Electrolytic Cations in Redox-Active Hydrogen-Bonding Nanoporous Coordination Crystals Tháng 5 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
- A computational study on the photophysics of methylpheophorbide a Tháng 5 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
- Proton transfer kinetics modulated by single-residue substitution in photobasic FR-1V/hCRABPII Tháng 5 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
- Recent advances in dopant–matrix afterglow systems: high-performance organic afterglow materials and the critical role of organic matrices in materials fabrication Tháng 5 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
- Vetting molecular candidates posited for the first diffuse interstellar bands (5780 and 5797 Å): a quantum chemical study Tháng 5 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
- Investigation of the structure and dynamics of amorphous calcium carbonate by NMR: stabilization by poly-aspartate and comparison to monohydrocalcite Tháng 5 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
- Peroxymonosulfate activated M-MOF-74 (M = Co, Fe, Ni) visible light photocatalysts for methylene blue degradation enhancement Tháng 5 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
- Applications of the density functional method combined with the electron-positron correlation-polarization potential to positron binding to hydrocarbons and water clusters Tháng 5 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
- Predicting a new class of diamond-supported transition-metal single-atom catalysts for hydrogen evolution Tháng 5 5, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP00870K, CommunicationSheng Qin, Ke Ding, Kaiye Zheng, Bifa Ji, Yongping Zheng, Yongbing TangA new class of diamond-supported transition-metal single-atom catalysts for the hydrogen evolution reaction (HER) is predicted from the results of density functional theory (DFT) calculations.To cite this article before page numbers are assigned, use the DOI […]Sheng Qin
- CO oxidation on bimetallic Re-Pt clusters: Unraveling the role of oxygen coverage Tháng 5 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
- Optically anisotropic ZnO nanorings fabricated by near-field photoelectrochemistry Tháng 5 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00753D, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Yuki Oba, Seung Hyuk Lee, Tetsu TatsumaPhotonic nanofabrication based on optical near field generated around nanostructures is a powerful technique for shaping materials at the nanoscale, beyond the diffraction limit of light. […]Yuki Oba
- Mechanism of azeotrope elimination in the ethyl propionate–ethanol system using ionic liquid HMIMOAc as an entrainer: Experimental and theoretical insights Tháng 5 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01219H, PaperShuyan Liu, Xiuyu Du, Kuan Ji, Lili Lv, Yu ZhouIonic liquids (ILs) are highly effective entrainers for extractive distillation of azeotropes, owing to their unique physicochemical properties. However, the intrinsic molecular mechanisms underlying the role of ILs in azeotropic...The content of this RSS Feed (c) The Royal […]Shuyan Liu
- Ng@M10H10: Nobel Gas Trapping By Alkali Hydride Cage Tháng 5 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01273B, PaperFarnaz Yashmin, Kangkan Sarmah, Pankaz K. Sharma, Ankur Kanti GuhaThe stability of noble gas encapsulated M10H10 (M= Li, Na, K) cage structures are examined using density functional and ab initio molecular dynamics simulations. To ascertain the effectiveness of M10H10...The content of this RSS Feed (c) The Royal […]Farnaz Yashmin
- Crystal structure prediction of three- and two-dimensional gallium oxide via differential evolution algorithm Tháng 5 4, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP00113G, PaperLei Wang, Danling Wang, Zian Chen, Tao He, Lina Xu, Xiangju Xu, Hongping Xiao, Yueyu Zhang, Guoyong FangThe wide-band-gap semiconductor gallium oxide (Ga2O3) has significant advantages for use in high-power semiconductor devices and deep-ultraviolet-detection optoelectronic devices. Crystal structure prediction is one of the most challenging and interesting...The […]Lei Wang
- Understanding the Carbonization-Controlled Microstructure Regulation in Coal-Based Hard Carbon for Strengthen Sodium Storage Performance Tháng 5 7, 2025
