RSC – Phys. Chem. Chem. Phys. latest articles- 4f-Electron Localization in Ce-Embedded Co6Te8 Clusters for Enhanced CO2 Reduction Catalysis January 9, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04029A, PaperZhiyuan Zhang, Jiarui Li, Pawel Michal Kozlowski, Wang Cong, Kamran Akbar, Yanning Zhang, Georg Schreckenbach, Yang Gao, Zhiming M. WangDensity functional theory (DFT) calculations were employed to investigate the CO2 reduction reaction (CO2RR) on a series of metal-embedded Co6Te8(PH3)5 chalcogenide clusters, incorporating transition metals and f-block elements […]Zhiyuan Zhang
- Amorphous NiB as electrocatalyst from KA oil to succinic acid January 9, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03623B, PaperYulin Zhou, Lei Zhu, Xiaohong Tao, Wenbin Jiang, Jun Chai, Hangjia ShenSuccinic acid (SA), an vital C4 building block, is predominantly produced via biological fermentation and chemical processes. Herein, we report an efficient electrocatalytic strategy for succinic acid production from KA...The content of this RSS Feed (c) […]Yulin Zhou
- CO2 Photoreduction on Mixed Ti/Zr-MOF-525: Bicarbonate as the Active Intermediate and the Role of Ti Substitution January 9, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04190B, PaperThanyaporn Puengpoka, Jirapat Santatiwongchai, Warot Chotpatiwetchkul, Sareeya Bureekaew, Muhammad Saleh, Anchalee Junkaew, Sarawoot ImpengThe photocatalytic reduction of CO2 in metal-organic frameworks (MOFs) offers a sustainable route to C1 fuels and chemicals. Herein, density functional theory (DFT) calculations elucidate CO2 reduction on mixed Ti/Zr-MOF-525...The content of this RSS […]Thanyaporn Puengpoka
- Hidden inner potential of electrolyte solutions and their application to ionic conductance and the Wien effect January 9, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP03281D, PaperKeisaku KimuraThe Poisson equation for the electrolytic solution was rigorously solved using a charge distribution model in a nanospace without using the linearized Poisson–Boltzmann approximation.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The […]Keisaku Kimura
- Electrochemical Study of Crednerite CuMnO2 for Symmetric Supercapacitor Applications January 9, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04565G, PaperKaran S Modi, Pruthvi Patel, Dharti Patel, Jay B Patel, Vanaraj Solanki, Mitesh PatelSupercapacitors are gaining prominence as a sustainable energy storage technology due to their quick charge-discharge process, high theoretical capacitance, and extended lifespan. Transition metal oxides (TMOs), particularly the copper-based delafossites...The content of this RSS […]Karan S Modi
- Chiral-Induced Spin Selectivity: An Interdisciplinary Perspective from Chemical Physics to Biology January 9, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04185F, PerspectiveAnil Kumar, Anu GuptaThe chirality-induced spin selectivity (CISS) effect refers to an interdisciplinary quantum phenomenon in which chiral molecules influence the spin of the electrons passing through them. Since the groundbreaking discovery of...The content of this RSS Feed (c) The Royal Society of ChemistryAnil Kumar
- Designing hybrid materials with advanced optical properties using superalkali M3O (M = Li, Na, and K) and isoelectronic species of cyclo[18]carbon (B6C6N6 and B9N9) January 9, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04608D, PaperXiaohui Chen, Xiufen Yan, Tian Lu, Zeyu LiuThe geometric, electronic, and optical properties of the hybrid materials formed by complexing B6C6N6 and B9N9 with superalkali M3O (M = Li, Na, and K), that is, M3O@B6C6N6 and M3O@B9N9...The content of this RSS Feed (c) The Royal Society of […]Xiaohui Chen
- Synthesis of a Gemini-Mannich base efficient corrosion inhibitor for oilfield acidification January 9, 2026Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03518J, PaperYi Luo, Zhongying Xu, Yu Chen, Qiongwei Li, Shanjian Li, Gang Chen, Yun Ma, Ying TangThe gemination of functional groups is an effective way to enhance corrosion efficiency. A novel Gemini-Mannich base corrosion inhibitor (BPFC) was synthesized through a one-step protocol utilizing piperazine, cyclohexanone, and...The content of […]Yi Luo
- Correlation between information entropy and pore connectivity in oxidic materials with random disordered porosity January 9, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04416B, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Antigoni G. Margellou, Gerasimos S. Armatas, Konstantina Kolonia, Philippos J. PomonisPore connectivity and pore entropy, that are crucial characteristics of porous solids controlling the mass transfer and diffusion of fluids through them, […]Antigoni G. Margellou
- H atom product channels in the ultraviolet photodissociation of the 2-methyl-1-propenyl radical January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04745E, PaperMichael Lucas, Yuan Qin, Lei Yang, Ge Sun, Jingsong ZhangThe ultraviolet (UV) photodissociation dynamics of 2-methyl-1-propenyl radicals are investigated using the high-n Rydberg atom time-of-flight (HRTOF) technique in the 226-248 nm photolysis region. The radicals are generated from 193...The content of this RSS Feed (c) The Royal […]Michael Lucas
- Formation and Oxygen Intercalation of Vitreous 2D Silica Bilayer Films on Ir(111) January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04298D, PaperSteffen Friis Holleufer, Ulver Graves Hvidt, Ihsan Ahmed Kolasseri, Yong Chen, Zheshen Li, Jeppe Vang Lauritsen, Liv Hornekaer, Andrew CassidyUltrathin 2D silica bilayer films have been reported on several platinum-group metals, namely Ru, Pd, Pt, and Rh. Here, we report the growth of a 2D silica bilayer […]Steffen Friis Holleufer
- Strategy For Steganography and Information Encryption-Decryption Using Fs Laser-Created Luminescence in Organic Solids January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP02244D, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Ruyue QUE, Olivier Plantevin, Matthieu Lancry, Bertrand PoumellecFunctional materials, especially luminescent ones, are attracting increasing attention in the field of information security due to their potential in advanced steganography, information encryption–decryption, and […]Ruyue QUE
- Vibrational relaxation rate coefficients in CS-He collisions up to the dissociation limit: mixed quantum-classical calculations and neural network predictions January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04424C, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Marco Pezzella, Fernando Pirani, Massimiliano Bartolomei, Qizhen Hong, François Lique, Loriano Storchi, Cecilia ColettiRate coefficients for the process CS(v) + He → CS(v - Δv) + He with Δv=1,2,3 and for v […]Marco Pezzella
- Signal Propagation in LOV-Based Multidomain Proteins: Time-Resolved Infrared Spectroscopy Reveals the Complete Photocycle of YF1 and PAL January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03982G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Raoul Emanuel Herzog, Philipp Janke, Paul Maximilian Fischer, Philipp Johann Heckmeier, Chongyao Wei, Probal Nag, Sina Johanna Hartmann, Matthias Mulder, Fabienne Stierli, Joerg Standfuss, Igor Schapiro, Peter HammLight-oxygen-voltage (LOV) domain proteins represent […]Raoul Emanuel Herzog
- Insight into the photoelectric characteristic and photocatalytic water splitting in van der Waals heterostructures Cs 2 PbI 4 /MX 2 (M=Mo, W; X=Se, S) January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04273A, PaperWeibing Zhang, Ai-Jie Mao, Xiang-Rong Chen, Huayun GengThe photoelectric characteristic and photocatalytic water splitting in van der Waals heterostructures Cs2PbI4/MX2 (M=Mo,W; X=Se, S) were carried out based on first principle calculations. Four stable heterostructures were obtained with...The content of this RSS Feed (c) The Royal Society of […]Weibing Zhang
- Molecular Dynamics Investigation of the Interaction Between Central-Site Chloride Binding and Proton Transport in EcCLC January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03799A, PaperZhe Wang, Jiayi Zeng, Tao Yu, Lifeng GaoThe EcCLC protein functions as a transporter that concurrently translocates chloride ions and protons. Although extensive experimental and theoretical studies have been conducted, a comprehensive understanding of the transport processes...The content of this RSS Feed (c) The Royal Society of […]Zhe Wang
- Kinetics of Barrier Crossing Events from Temperature Accelerated Sliced Sampling Simulations January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP03448E, PaperSameer Saurav, Debjit Das, Ramsha Javed, Nisanth N NairTemperature-accelerated sliced sampling (TASS) is a well-established enhanced sampling method that facilitates exhaustive exploration of high-dimensional collective variable (CV) space through directed sampling employing a combination of umbrella restraining biases,...The content of this RSS Feed (c) The Royal Society […]Sameer Saurav
- Theoretical investigation of high-pressure phase stability and potential superconductivity of Ce–S–H ternary hydrides January 8, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP03406J, PaperYin L. Xu, Yang M. Chen, Xiao Z. Yan, Hua Y. GengThe calculated superconducting transition temperature was 95.7 K for Cc-CeH10S at 300 GPa, suggesting that it is a good candidate for superconductors.To cite this article before page numbers are assigned, use the DOI form of citation […]Yin L. Xu
- Quasi-Molecular Perspective on the Planarity of 2D Materials: The case of 2D MoS2 January 8, 2026Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03630E, PaperAntonio J. C. VarandasThe geometry of two-dimensional (2D) materials is explored, with a focus on monolayer MoS2 , through the lens of a quasi-molecular framework. In this approach, the extended 2D sheet is...The content of this RSS Feed (c) The Royal Society of ChemistryAntonio J. C. Varandas
- Rationalization of molecular interactions in template-functional monomer pre-polymerization complexes January 8, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D5CP04704H, PaperFilip VlahovicMolecular imprinting, an advanced technique for synthesizing polymer matrices with specific recognition sites, emulates the natural recognition processes found in biological receptors. This study investigates the molecular imprinting of three...The content of this RSS Feed (c) The Royal Society of ChemistryFilip Vlahovic
- 4f-Electron Localization in Ce-Embedded Co6Te8 Clusters for Enhanced CO2 Reduction Catalysis January 9, 2026
