Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00064A, PaperHiroki Otaki, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita, Kiyoshi Yagi Vibrational spectroscopy combined with theoretical calculations is a powerful tool for analyzing the interaction and conformation of peptides at the atomistic level. Nonetheless, identifying the structure becomes increasingly difficult as... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Hiroki Otaki Source Type: research

Study of Two-Photon Absorption and Excited-State Dynamics of Coumarin Derivatives: Effect of Monomeric and Dimeric Structures
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP06059D, PaperJidong Jia, Jie Li, Tianwei Zhang, YinLin Lu, Ying-Lin Song Intramolecular charge transfer (ICT) and π-electron delocalization are two key factors affecting the nonlinear optical absorption of organic molecules. To clarify the different influences of ICT and π-electron delocalization on... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Jidong Jia Source Type: research

Porous tremella-like NiMoP/CoP network electrodes as an efficient electrocatalyst
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP04423H, PaperJianzhi Wang, Jie Yang, Fuhua Huang, Yuru Li, Yu Luo, Yanan Xue, Ning Cai, Hui Li, Faquan Yu The design of efficient, stable and cost-effective electrocatalysts for hydrogen evolution reaction holds substantial significance in water electrolysis, but it remains challenging. Tremella-like nickel-molybdenum bimetal phosphide encapsulated cobalt phosphide (NiMoP/CoP)... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Jianzhi Wang Source Type: research

Enhancing Catalytic Activity of Cr2O3 in CO2-assisted Propane Dehydrogenation with Effective Dopant Engineering: A DFT-Based Microkinetic Simulation
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP05548E, PaperFaheem Jan, ShuaiKe Zhi, Xiaoying Sun, Bo Li Using CO2 as a mild oxidizing agent in the propane dehydrogenation (PDH) presents an attractive pathway for the generation of propene while maintaining high selectivity. Cr2O3 is one of the... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Faheem Jan Source Type: research

A triple Fano resonance Si –graphene metasurface for multi-channel tunable ultra-narrow band sensing
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05550G, PaperJukun Liu, Hongxiang Dai, Jiaqi Ju, Ke Cheng In this work, a dielectric metasurface composed of a silicon nanodisk etched with a square hole is proposed. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Jukun Liu Source Type: research

Modelling the effect of surface charging on plasma synthesis of ammonia using DFT
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP06050K, PaperAditya Dilip Lele, Yijie Xu, Yiguang Ju Non-equilibrium plasma has been found to have a synergistic effect on catalytic synthesis of NH3. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Aditya Dilip Lele Source Type: research

Ultra-thin Van der Waals Magnetic Tunnel Junction Based on Monoatomic Boron Vacancy of Hexagonal Boron Nitride
We presents a new strategy to create a van der Waals-based magnetic tunnel junction (MTJ) that consists of a three-atom layer thickness of graphene (Gr) sandwiched with hexagonal boron nitride... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Halimah Harfah Source Type: research

Probing the hierarchical dynamics of DNA-sperm nuclear transition protein complex through fuzzy interaction and mesoscale condensation
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP05957J, PaperShangqiang Xie, Congran Yue, Sheng Ye, Zhenlu Li Nuclear transition protein TNP1 is a crucial player mediating histone-protamine exchange in condensing spermatids. A unique combination of intrinsic disorder and multivalent properties turns TNP1 into an ideal agent for... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 7, 2024 Category: Chemistry Authors: Shangqiang Xie Source Type: research

Computational approach to enhance thermoelectric performance of Ag2Se by S and Te substitutions
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05833F, PaperRaju K Biswas, Swapan K Pati Rashba effect and high configuration entropy lead high thermoelectric figure of merit at near room temperature. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Raju K Biswas Source Type: research

Mechanistic insights into the co-recovery of nickel and iron via integrated carbon mineralization of serpentinized peridotite by harnessing organic ligands
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP04996E, PaperShreya Katre, Prince Ochonma, Hassnain Asgar, Archana M Nair, Ravi K, Greeshma Gadikota Mechanisms underlying co-recovery of energy critical metals and carbon mineralization by harnessing organic ligands are uncovered by investigating the influence of chemical and mineral heterogeneity and the morphological transformations of minerals. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Shreya Katre Source Type: research

Boron-containing fullerene-based salts with cyclic carbonate solvents as electrolytes for Li-ion batteries and beyond
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP04706G, PaperPiyusaranjan Giri, Sourab Barath V., Shakuntala Dhurua, Sankar Maity, Rabiul Gazi, Madhurima Jana Introducing B-doped fullerene-based, C59B−, and C58B22 − counteranions of Li+, Na+, and Mg2+ to act as emerging electrolytes in cyclic carbonate solvents for metal-ion batteries. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Piyusaranjan Giri Source Type: research

Study on the solid –liquid equilibrium and thermodynamic model of the L-phenylalanine + L-tryptophan + water system
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05690B, PaperWeiping Liu, Hongfei Xiang, Yisong Wang, Xia Li, Yahui Yin, Yu Zhou, Xianzhen Xu The phase diagram of solid –liquid equilibrium of amino acid aqueous solution in a ternary system is used in the separation and purification process. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Weiping Liu Source Type: research

NiSe2/CeO2 catalysts from Ce-UiO-66 metal –organic skeletons and their electrocatalytic oxidation of methanol, urea and glycerol
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP06273B, PaperJiaqi Huo, Ying Chang, Aiju Xu, Meilin Jia, Jingchun Jia NiSe2/CeO2 catalysts from Ce-UiO-66 metal-organic skeleton by Ce-UiO-66 metal-organic skeleton, showed high catalytic activity for methanol oxidation (MOR), urea oxidation (UOR) and glycerol oxidation (GOR), which provides an effective way to design nickel-based catalysts for electrooxidation. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Jiaqi Huo Source Type: research

High-throughput screening of the transport behavior of tetragonal perovskites
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D4CP00109E, PaperYuanyuan Chen, Lu Xiao, Libin Shi, Ping Qian Halide perovskites have attracted attention due to their low cost and excellent optoelectronic properties. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Yuanyuan Chen Source Type: research

The influence of the molecular chain length of PVA on the toughening mechanism of calcium silicate hydrates
This study employs molecular dynamics techniques to examine the impact of the polyvinyl alcohol (PVA) chain length on the tensile performance and toughening mechanism of C –S–H. 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 Chemistry (Source: RSC - Phys. Chem. Chem. Phys. latest articles)
Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 6, 2024 Category: Chemistry Authors: Luqing Cheng Source Type: research