RSC – Phys. Chem. Chem. Phys. latest articles- High-performance transition metal single-atom-anchored IrN2 monolayer as an electrocatalyst for nitrate reduction to ammonia October 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02956B, PaperYuqi Qiu, Wenxi Han, Jifa Fu, Lianming Zhao, Jing Xu, Guangkun Yan, Zeyue Peng, Tao Ding, Yizhu Wang, guang zhao, Hao Ren, Wei XingThe electrocatalytic nitrate reduction reaction (NO3RR) has emerged as a promising strategy for simultaneous nitrate remediation and sustainable ammonia synthesis. However, the development of […]Yuqi Qiu
- Discrete Component Model to Explain the Photophysics of Bay-Functionalized Perylene Bisimide Derivatives October 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02789F, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Chenbo Meng, Siegfried EiglerBay functionalization of perylene bisimides (PBIs) is a widely used strategy to tailor its electronic structure. However, most bay-functionalized PBIs are symmetric, bearing identical substituents. Here, we present an […]Chenbo Meng
- Role of viologen substituents and host size in the gas-phase fragmentation of cucurbituril–viologen host–guest complexes October 13, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03029C, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hugo Yuset Samayoa-Oviedo, Daniel M. Hristov, Bethany A. Phillips, Julia LaskinViologens are widely used in the development and fabrication of electrochromic devices. One strategy to enhance their stability in solution upon electrochemical […]Hugo Yuset Samayoa-Oviedo
- The anomalous nature of fluorine revisited: Amazing consequences October 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
- Tuning linear dichroism/birefringence (LDLB) contributions in VCD spectra of tartaric acid-TPPS4 porphyrin films October 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
- Monoterpene Flash Pyrolysis Reveals Weakly Coupled Mechanistic Domains and Fleeting Biradical Intermediates October 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
- Influence of Three-Body Effects on Halogen Bonding October 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. October 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
- Janus Particle Type Behavior of a Model Flavone Derivative with Distinct Solvent Dependent Competitive Photoinduced Processes October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03323C, PaperAkash Das, Shreyoshi Chatterjee, Nikhil GuchhaitIn this article, Janus particle type behavior, i.e. bi-faces character with respect to photoinduced charge transfer (CT) and proton transfer (PT) reaction has been explored in a custom designed single...The content of this RSS Feed (c) The Royal Society of ChemistryAkash Das
- Ultrasmall CeO2-x@β-CD nanoparticles with pH-dependent prooxidant activity and doxorubicin loading/release capability October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02731D, Paper Ganna Grygorova, Vladyslav Seminko, Nataliya Babayevska, Mykyta Lupan, Nataliya Kavok , Svetlana YefimovaIn this paper, we propose multifunctional ultrasmall (2-3 nm) CeO2-x@β-CD nanoparticles (NPs) as combined nanozymes and potential drug delivery platforms for anticancer drugs. The CeO2-x@β-CD NPs demonstrate high peroxidase-like and...The content of this RSS […]Ganna Grygorova
- Decomposition pathway and structural transformation of lithium nickel oxide in a high-delithiation state October 12, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP03163J, PaperKui Meng, Jie Chen, Yanfei Chen, Xinming Fan, Xueyi GuoThe main resistance of decomposition reactions is the deoxygenation process, but the order of the structural transformation and deoxygenation process is different.To cite this article before page numbers are assigned, use the DOI form of citation above.The content […]Kui Meng
- Step-by-step HF etching on Si (0001) and C (000-1) crystal faces of 4H-SiC with OH or F-OH terminations: A first-principles study of the atomic-scale etching mechanism October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03118D, PaperYuncai Jiang, Shuangying Lei, Zixian Li, Zaifa ZhouEtching is a crucial step in the process of integrated circuits (ICs). This study investigates the sequential HF etching behavior of the Si (0001) and C (000-1) crystal faces of...The content of this RSS Feed (c) The Royal Society of […]Yuncai Jiang
- Intrinsic large valley polarization, perpendicular magnetic anisotropy, and piezoelectric polarization in multiferroic two-dimensional ferrovalley semiconductors October 12, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP01941A, PaperShuixian Qu, Heng Gao, Jinkui Zhao, Xinzhi LiuA symmetry-engineering strategy enables giant valley polarization and multiferroicity in 2D Janus materials, with electrically switchable valley and layer-polarized anomalous Hall effects.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this […]Shuixian Qu
- Spillover hydrogen-driven CO2 hydrogenation on a Pd/Cu(111) single atom alloy model catalyst at room temperature studied by ambient pressure X-ray photoelectron spectroscopy October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03538D, PaperWataru Osada, Fumihiko Ozaki, Shunsuke Tanaka, Kozo Mukai, Masafumi Horio, Iwao Matsuda, Takanori Koitaya, Susumu Yamamoto, Jun YoshinobuWe report that a single-atom alloy (SAA) model catalyst, Pd/Cu(111), promotes CO2 hydrogenation to formate and methoxy species via hydrogen dissociation and spillover at room temperature, as revealed by ambient-pressure...The […]Wataru Osada
- Mechanism study on enhancing the combustion performance of aluminum with polyvinylidene fluoride October 12, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02638E, PaperYajing Xun, Lijuan Yan, Yunlan Sun, Xiaojing Li, Hongjie Feng, Kunru MaAs a key metal fuel in high-energy solid propellants, the improvement of the combustion efficiency of aluminum (Al) is the focus of current research.To cite this article before page numbers are assigned, use the DOI form […]Yajing Xun
- Conformational analysis of temperature switchable PNIPAM-b-PACMO in ionic liquid modified AuNPs: A comprehensive insight into nanocomposites formation-phase transition relationship October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP01221J, PaperSanjay Mor, Kavya Bhakuni, Rashmi Prabha, Pannuru VenkatesuThe block copolymer has gained immense attention as a means of constructing tailor-made stimuli-responsive composite material, as they offer chemical flexibility. Herein, influence of two different ionic liquid (IL) having...The content of this RSS Feed (c) The Royal Society of […]Sanjay Mor
- Effects of Zn, Nb doping on the performance of NCM622: a first principles study October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03181H, PaperYu Zhang, Shuxin Li, Miaomiao HanLiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM622) is a promising and widely used cathode material, but its further application is limited by serious structural instability and Li +...The content of this RSS Feed (c) The Royal Society of ChemistryYu Zhang
- Finding the temperature window for atomic layer deposition of ruthenium metal via efficient phonon calculations October 12, 2025Phys. Chem. Chem. Phys., 2025, Advance ArticleDOI: 10.1039/D5CP02945G, PaperAlexandr Fonari, Simon D. Elliott, Casey N. Brock, Yan Li, Jacob Gavartin, Mathew D. HallsReproduce and rationalize the experimental observation that ALD of Ru metal from RuO4 and H2 occurs only in a narrow temperature window above 100 °C based on free energies from highly-scalable cloud-ready phonon […]Alexandr Fonari
- van der Waals Heterostructure PtS 2 /MoSi 2 P 4 for Advanced Thermoelectric and Photovoltaic Applications October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP03286E, Paper . Saira, Imran Aslam, Umair Mumtaz, Yi Ding, Muhammad SajjadThis study explores the PtS2/MoSi2P4 van der Waals heterostructure (vdWH) as a potential candidate material for sustainable energy applications in thermoelectric and photovoltaics. The heterostructure exhibits a small lattice mismatch...The content of this RSS Feed (c) The […]. Saira
- Substituent Effects on the Supramolecular Arrangement in Bio-Inspired Chlorin Nanotubes October 12, 2025Phys. Chem. Chem. Phys., 2025, Accepted ManuscriptDOI: 10.1039/D5CP02553B, PaperMichael Bühler, Richard Einsele, Merle Insa Silja RöhrThe efficiency and adaptability of chlorosomal light-harvesting systems arise from their ability to form well-defined supramolecular nanotube architectures through pigment self-assembly. In this work, we carry out theoretical studies to...The content of this RSS Feed (c) The Royal Society of […]Michael Bühler
- High-performance transition metal single-atom-anchored IrN2 monolayer as an electrocatalyst for nitrate reduction to ammonia October 13, 2025
