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A first-principles study of the BC3N2 monolayer and a BC3N2/graphene heterostructure as promising anode materials for sodium-ion batteries
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP04804G, PaperXiao-Juan Ye, Rui Zhao, Xin Xiong, Xiao-Han Wang, Chun-Sheng Liu The BC3N2 monolayer and a BC3N2/graphene heterostructure could achieve a balanced fast charging rate, high specific capacity, and moderate OCV, confirming that both structures are excellent candidates for anodes of SIBs. 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 - April 2, 2024 Category: Chemistry Authors: Xiao-Juan Ye Source Type: research

Intramolecular boron-locking strategy induced remarkable first hyperpolarizability: role of torsion angles between donor and acceptor units
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP06276G, PaperBo Li, Shichen Lin, Feng Long Gu Intramolecular boron-locking strategy with intramolecular noncovalent interactions is a promising and novel strategy for inducing remarkable first hyperpolarizability. 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 - April 2, 2024 Category: Chemistry Authors: Bo Li Source Type: research

Dissociation of H2O2 on water surfaces (ice and water droplets)
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP04107G, PaperAmit Kumar, Pradeep Kumar In the present work, we have studied the thermal dissociation of H2O2 on water droplets and the surface of ice using Born –Oppenheimer molecular dynamics simulations. 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 - April 2, 2024 Category: Chemistry Authors: Amit Kumar Source Type: research

Enhanced water permeation through the terahertz-induced phase and diffusion transition in metal –organic framework membranes
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05988J, PaperZhi Zhu, Lei Wang, Shaojian Yan, Qilin Zhang, Hui Yang The use of terahertz waves are proven to be a powerful method for significantly, reversibly, and remotely enhancing water permeation across MOF membranes. 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 - April 2, 2024 Category: Chemistry Authors: Zhi Zhu Source Type: research

The structure-giving role of Rb+ ions for water –ice nanoislands supported on Cu(111)
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05968E, PaperJavier A. Mart ínez, Inga C. Langguth, David Olivenza-León, Karina Morgenstern Solvation of rubidium in contact with the Cu(111) surface is studied by low-temperature scanning tunneling microscopy. Rubidium ions induce changes in the geometry of the water ice island, presenting a structure-building effect. 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 - April 2, 2024 Category: Chemistry Authors: Javier A. Mart ínez Source Type: research

Chemical effect on the Van Hove singularity in superconducting kagome metal AV3Sb5 (A = K, Rb, and Cs)
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Sangjun Sim, Min Yong Jeong, Hyunggeun Lee, Dong Hyun David Lee, Myung Joon Han To understand the alkali-metal-dependent material properties of recently discovered AV3Sb5 (A = K, Rb, and Cs), we conducted a detailed electronic structure analysis based on first-principles density functional theory calculations. 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 - April 2, 2024 Category: Chemistry Authors: Sangjun Sim Source Type: research

Enhancing the thermopower of single-molecule junctions by edge substitution effects
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP06176K, PaperQiang Qi, Guangjun Tian, Liang Ma Edge substitution with nitrogen atom in single-molecule junction brings a higher thermopower. 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 - April 2, 2024 Category: Chemistry Authors: Qiang Qi Source Type: research

Implications of Efficient and Selective NO and NO2 Detection via Surface Functionalized h-B2S2 Monolayer
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00332B, PaperUpasana Nath, Manabendra Sarma In the ever-growing field of two-dimensional (2D) materials, boron-sulfide (B2S2) monolayer is a promising new addition to MoS2-like 2D material with a lighter element, boron (B), having similar valence electrons... 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 - April 2, 2024 Category: Chemistry Authors: Upasana Nath Source Type: research

Understanding the active role of water on laboratory chamber studies of reactions of the OH radical with alcohols of atmospheric relevance
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP05667H, PaperMar ía de los Ángeles Garavagno, Federico Javier Hernández, Rafael Alejandro Jara-Toro, Gustavo Ariel Pino In this work, we studied the reactions of three cyclic alifatic alcohols with OH at room temperature, atmospheric pressure and differente humidities in a Teflon reaction chamber. It was determined... 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 - April 2, 2024 Category: Chemistry Authors: Mar ía de los Ángeles Garavagno Source Type: research

The smallest Schwarzite carbon with sole heptagonal carbon rings
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP05131E, PaperMeng Hu, Junwen Huang, Lu Shi, Jing Hua, Lingyu Liu, Julong He, Jian Ning Ding Carbon materials with full sp2-hybridized buckling declare fundamental nanoscience and nanotechnologies research priorities. sp2 carbon atoms prefer to form hexagonal rings, such as in carbon nanotubes and graphene, which are... 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 - April 2, 2024 Category: Chemistry Authors: Meng Hu Source Type: research

Effect of Photoconversion Conditions on the Spectral and Cytotoxic Properties of Photoconvertible Fluorescent Polymer Markers
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP04606K, PaperPolina Demina, Oleg V. Grishin, Sergey Malakhov, Olesya Timaeva, Elizaveta S. Kulikova, Timophey Pylaev, Mariia Saveleva, Irina Yu Goryacheva Fluorescent labeling of cells is a versatile tool used to study cell behavior, which is of significant importance in biomedical science. Fluorescent photoconvertible markers based on polymer microcapsules have been... 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 - April 2, 2024 Category: Chemistry Authors: Polina Demina Source Type: research

Simultaneous switching of two different CO2-switchable amines in the same solution
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00392F, PaperMatthew Sanger, Daniel Barker, Philip G. Jessop Most CO2-responsive systems operate by using a base in water that is expected to be mostly deprotonated when under an atmosphere of air and mostly protonated under an atmosphere of... 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 - April 2, 2024 Category: Chemistry Authors: Matthew Sanger Source Type: research

Shell thickness-induced thermal dependence: highly sensitive core –shell CdSe/ZnS/POSS-based temperature probes
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D4CP00099D, PaperJiannan Sun, Ke Yan, Aizhao Pan, Pan Zhang, Xuehang Chen, Xinyi Shi, Chengyu Shi Fluorescence nanothermometry based on quantum dots is a current research hotspot for novel non-contact temperature monitoring, and is of vital significance for the modulation and design of the sensing properties of sensors. 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 - April 2, 2024 Category: Chemistry Authors: Jiannan Sun Source Type: research

Computational insights into the binding modes, keto-enol tautomerization and stereo-electronically controlled decarboxylation of oxaloacetate in the active site of Macrophomate synthase
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00716F, PaperXinyi Li, Fa-Guang Zhang, Jun-An Ma, Yongjun Liu Oxaloacetic acid (OAA) is a -ketocarboxylic acid, which plays an important role as an intermediate in some metabolic pathways, including the tricarboxylic acid cycle, gluconeogenesis and fatty acid biosynthesis. Animal... 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 - April 2, 2024 Category: Chemistry Authors: Xinyi Li Source Type: research

Rotational Spectroscopy Study of Microsolvation Effects on Intramolecular Proton Transfer in Trifluoro- acetylacetone-(H2O)1-3
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP01061B, PaperDingding Lv, Xin-Lei Chen, Ningjing Jiang, Guanjun Wang, Xiaoqing Zeng, Wei Fang, Weixing Li, Mingfei Zhou Trifluoroacetylacetone (TFAA) has two enol forms, which can switch to each other via proton transfer. While much attention has been given to their conformational preferences, the influence of microsolvation 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 - April 2, 2024 Category: Chemistry Authors: Dingding Lv Source Type: research