RSC – Phys. Chem. Chem. Phys. latest articles- Designing High-Performance Thermoelectrics through Chalcogen Engineering in InSe-based Layered Materials April 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP01045H, PaperShivani Vinod, Tanu Choudhary, Raju Kumar BiswasInSe-based van der Waals layered materials InXY (X,Y=S,Se,Te) with a hexagonal phase are investigated by breaking local inversion symmetry to study their structural, mechanical, electronic, and thermoelectric properties. Chalcogen substitution...The content of this RSS Feed (c) The Royal Society of ChemistryShivani Vinod
- Photoinduced electron transfer (PET) in ethaline-like solvents April 26, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04727G, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Saqib Rabbani, Mohammedulameen Fakhri, Andy Lin, Sasha Noble, John R. SwierkMixtures of deep eutectic solvents and water impact photoinduced electron transfer through both viscosity and stabilization of the charge transfer state, offering […]Saqib Rabbani
- A Tunable Charge-Transfer-State Rotaxane Gated by Solvent, Anions, and Aggregation April 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00972G, PaperWei-Liang Hu, Yuan Yuan, Gui-Yuan Wu, Xianyi Zhang, Wei-Jian Li, Zhou LuPrecise multi-stimuli regulation of intramolecular charge-transfer (CT) states in mechanically interlocked systems is challenging due to the complexities of synergistic control and unresolved ultrafast dynamics. We report a triple-stimuli strategy...The content of this RSS Feed (c) […]Wei-Liang Hu
- Equilibrium and kinetic aspects of Am(III)/Eu(III) pair extraction by a bipyridine-based N,O-donor ligand in different solvents April 26, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00198J, PaperEkaterina A. Konopkina, Elizaveta A. Pavlova, Evgeny V. Tararushkin, Alexander V. Gopin, Ali S. Mannaa, Alexander A. Guda, Nataliya E. Borisova, Petr I. MatveevThe separation of Am(III) from Ln(III) is crucial for the efficient management of high-level nuclear waste and the closure of the nuclear fuel cycle.To […]Ekaterina A. Konopkina
- Strong field ionization and dissociation dynamics of vinyl bromide (C2H3Br) initiated by few-cycle pulses April 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00500D, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Temitayo A. Olowolafe, Godfred Adusei, Deep Mukherjee, Andrew Durden, Sulaiman Abubakar, Blessed Chukwuemeka Oguh, Akaninyene Udoikono, Suk Kyoung Lee, H. Bernhard Schlegel, Wen LiPhotoelectron-photoion (PEPICO) and photoion-photoion (PIPICO) coincidence measurements, coupled with […]Temitayo A. Olowolafe
- Mechanistic insights into high performance W6+-doped Li3YCl6 solid state electrolytes: synergy of vacancies and lattice softening April 26, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00694A, PaperYile Ding, Ziang Ren, Shihui Zou, Peng Shi, Huadong Yuan, Jianmin Luo, Yujing Liu, Jianwei Nai, Xinyong Tao, Yao WangW6+ doping triggers a synergistic enhancement mechanism in Li2.52Y0.84W0.16Cl6, introducing abundant Li+ vacancies and lattice softening to boost ionic conductivity.To cite this article before page numbers are assigned, […]Yile Ding
- Non-adiabatic Origin of Roaming OH Dynamics in the Formic Acid Dimer Dication April 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00331A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Saroj Barik, Ester Livshits, Roi Baer, Daniel StrasserIonization of molecular clusters can trigger chemical reactions and drive chemical evolution even at very low temperatures, influencing chemistry in interstellar, atmospheric, and planetary environments […]Saroj Barik
- Shockwave-induced structural changes of lipid flat disk and transition to vesicle April 26, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04439A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Kenichiro KoshiyamaShock waves during sonication induce vesiculation by changing the phase of lipid disks through the temporary creation of distorted disks.To cite this article before page numbers are assigned, use the DOI […]Kenichiro Koshiyama
- Femtosecond laser-induced graphite structural patterning and surface gasification: a molecular dynamics study April 26, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04861C, PaperXiaoguo Cao, Xionghui Tan, Yong Zhang, Can HanFemtosecond lasers are superior to nanosecond lasers in graphite material manufacturing, due to their advantages in precise micro–nano-scale engraving.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) […]Xiaoguo Cao
- The Structural Stability and Temperature-Dependent Exciton Dynamics in CsPbBr 3 Millimeter crystals April 26, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00531D, PaperHailong Yu, Jia Liu, Jijuan Jiang, Yang Jia, Guan Wang, Wenqiang Shi, Hongyan MengUnderstanding the intrinsic lattice properties and exciton dynamics of halide perovskites is crucial for the rational optimization of their optoelectronic performance. Here, density functional theory (DFT) calculations reveal that CsPbBr3...The content of this RSS […]Hailong Yu
- First-principles investigation of alloying element effects on Hydrogen trapping and diffusion at the α-Fe/VC interface and within the VC bulk April 23, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00858E, PaperLinxian Li, H. F. Lan, Shuai Tang, Qing Peng, Zhen-Yu Liu, Guodong WangUtilizing internal carbon (C) vacancies in vanadium carbide (VC) precipitates is crucial for mitigating hydrogen embrittlement in high-strength steels. This study employs first-principles calculations to establish a comprehensive evaluation framework...The content of this RSS Feed […]Linxian Li
- Resonance enhanced multiphoton ionization studies of di-ortho-methoxy methylcinnamate, a cinnamate-based UV-B filter April 23, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00719H, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Ivan Romanov, Michael Hymas, Jack Dalton, Vasilios G. Stavros, Wybren Jan BumaThe spectroscopy and dynamics of electronically excited states of a nature-based modified cinnamate have been studied in vacuum. The results provide […]Ivan Romanov
- Conformational gating governs ligand recognition in Bacillus subtilis cytochrome P450 CypX April 23, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP04574F, PaperYiru Wang, Ying LiBacterial cytochrome P450s are cornerstone monooxygenases that enable selective oxidation across the fields of metabolism and biocatalysis.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 ChemistryYiru Wang
- Mapping the reduction-resistant solution components: ethers confirmed, tertiary amines revealed April 23, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00503A, PaperMaksim Aleksandrovich Orekhov, Sergey KislenkoElectrolyte engineering for lithium metal anodes requires reduction-resistant components compatible with lithium metal. Ethers are widely considered the primary class of such reduction-resistant molecules. Here, we show through high-throughput quantum...The content of this RSS Feed (c) The Royal Society of ChemistryMaksim Aleksandrovich Orekhov
- Electrocatalysis of NO to NH3 on Transition-metal Doped Two-dimensional BC2N: A DFT Study April 23, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00513F, PaperZehua Long, Chenrong Wang, Wei Zhang, Shansong Sheng, Jiajia Wang, Donghui YangCoal-fired power plants widely employ low-NOx combustion and selective catalytic reduction (SCR) techniques to mitigate NOx emissions. However, the former compromises combustion stability, while the latter consumes substantial NH3 ....The content of this RSS Feed (c) […]Zehua Long
- Cu-Induced Activation of Borophene for Efficient Hydrogen Storage: A Combined DFT and AIMD Investigation April 23, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00021E, PaperRavi Kumar Trivedi, Smita Raut, Balasaheb J NagareUsing first-principles calculations and ab initio molecular dynamics, we studied hydrogen adsorption on pristine borophene and on borophene supported by a Cu(111) surface. Pristine β 12 borophene was found to...The content of this RSS Feed (c) The Royal Society of […]Ravi Kumar Trivedi
- Broadband and efficient microwave absorption of SiCnw@PDDA/MXene composites achieved by interfacial engineering and dielectric optimization April 23, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D5CP05029D, PaperYifeng Hu, Zhengxing Li, Honghui Jiang, Juan Liu, Zhongyue Song, Tongxiang LiangInterfacial engineering and dielectric optimization endow SiCnw@PDDA/MXene composites with optimized impedance matching and attenuation capability, enabling efficient and broadband microwave absorption.To cite this article before page numbers are assigned, use the DOI form of citation above.The […]Yifeng Hu
- Correction: Molecular wiring of chlorophyll a and cytochrome c on carbon black for amplified photocurrent generation and ROS profiling in cancer cells April 23, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP90080A, Correction Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Jayaprakash Meena, Sugumar Monisha, Tamizhselvi Ramasamy, Kandhan Palanisamy, Varatharaj Rajapandian, K. Santhakumar, Annamalai Senthil KumarTo cite this article before page numbers are assigned, use the DOI form of citation above.The content of […]Jayaprakash Meena
- Terminal Group Engineering in Small Molecule Acceptors: A First-Principles Approach to Improving Organic Solar Cell Performance April 23, 2026Phys. Chem. Chem. Phys., 2026, Accepted ManuscriptDOI: 10.1039/D6CP00176A, PaperDhruba Jyoti Kalita, Rinki DekaIn this study, eight new compounds have been designed to enhance the performance of organic solar cells (OSCs) using an end-capped modification strategy. Fullerene-free OSCs demonstrate excellent efficiency, positioning them...The content of this RSS Feed (c) The Royal Society of ChemistryDhruba Jyoti Kalita
- Moiety-specific mechanism of ATP's hydrotropic action on α-synuclein April 23, 2026Phys. Chem. Chem. Phys., 2026, Advance ArticleDOI: 10.1039/D6CP00884D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yusuke Shuto, Toshifumi Mori, Benjamin Kohn, Erik Walinda, Daichi Morimoto, Ulrich Scheler, Masatomo So, Ayako Furukawa, Norio Yoshida, Kenji SugaseStrong triphosphate anchoring and diffuse adenine shielding cooperatively drive ATP's concentration-dependent hydrotropic action […]Yusuke Shuto
- Designing High-Performance Thermoelectrics through Chalcogen Engineering in InSe-based Layered Materials April 26, 2026
