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Phase textures of metal –oxide nanocomposites self-orchestrated by atomic diffusions through precursor alloys
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Nasrat Hannah Shudin, Ryuto Eguchi, Takeshi Fujita, Tomoharu Tokunaga, Ayako Hashimoto, Hideki Abe Metal-oxide nanocomposites (MONs) are of pivotal importance as electrode materials, yet lack a guiding principle to tune their phase texture. 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 - May 2, 2024 Category: Chemistry Authors: Nasrat Hannah Shudin Source Type: research

Quantum Chemical Modeling of Enantioselective Sulfoxidation and Epoxidation Reactions by Indole Monooxygenase VpIndA1
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00552J, PaperQinrou Li, Shiqing Zhang, Fu-Feng Liu, Hao Su, Xiang Sheng Indole monooxygenases (IMOs) are enzymes from the family of Group E monooxygenases, requiring flavin adenine dinucleotide (FAD) for their activities. IMOs exhibit activities in both sulfoxidation and epoxidation reactions. 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 - May 2, 2024 Category: Chemistry Authors: Qinrou Li Source Type: research

Incorporating Solvent Effects in DFT: Insights from Cation Exchange in Faujasites
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.An T Ta, Ayoub Daouli, Robert Seaton Ullberg, Eric Fonseca, Vanessa Proust, Agn ès Grandjean, Richard Hennig, Hans-Conrad Zur Loye, Michael Badawi, Phillpot R Simon Zeolites are versatile materials renowned for their extra-framework cation exchange capabilities, with applications spanning diverse fields, including nuclear waste treatment. While detailed experimental characterization offers valuable insight, density functional theory... The content of this RSS Feed (c) The Royal Society of Chemistry (Source: RSC - Phys. Chem. Ch...
Source: RSC - Phys. Chem. Chem. Phys. latest articles - May 2, 2024 Category: Chemistry Authors: An T Ta Source Type: research

Changing aromatic properties through stacking: the face-to-face dimer of Ni(II) bis(pentafluorophenyl)norcorrole
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Qian Wang, Dage Sundholm, Jurgen Gauss, Tommaso Nottoli, Filippo Lipparini, Shota Kino, Shusaku Ukai, Norihito Fukui, Hiroshi Shinokubo Nuclear magnetic resonance (NMR) shielding constants have been calculated for Ni(II) bis(pentafluorophenyl)norcorrole and its face-to-face stacked dimer at the Hartree-Fock (HF), second-order M øller-Plesset perturbation theory (MP2), complete-active-space self-consistent-field (CASSCF) levels... 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 - May 2, 2024 Category: Chemistry Authors: Qian Wang Source Type: research

How microstructures, oxide layers, and charge transfer reactions influence double layer capacitances. Part 1: impedance spectroscopy and cyclic voltammetry to estimate electrochemically active surface areas (ECSAs)
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Maximilian Schalenbach, Victor Selmert, Ansgar Kretzschmar, Luc Raijmakers, Yasin Emre Durmus, Hermann Tempel, R üdiger-A. Eichel Varying the electrode potential rearranges the charges in the double layer (DL) of an electrochemical interface. Resistive contributions of the ion displacement cause a frequency-dependent capacitance. 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 - May 2, 2024 Category: Chemistry Authors: Maximilian Schalenbach Source Type: research

Achieving high-capacity aqueous supercapacitors via anion-doped construction of dual redox centers in NixCo1-xSeO3
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00454J, PaperTao Li, Jinyue Song, Hongguang Fan, Yanpeng Wang, Yusheng Luo, Chenchen Shao, Qingping Li, Wei Liu In asymmetric supercapacitors, transition metal selenates are a promising electrode, but its capacity is limited by the single redox center. To further enhance the performance of transition metal selenates, NixCo1-xSeO3... 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 - May 2, 2024 Category: Chemistry Authors: Tao Li Source Type: research

Topology and Giant Circular Dichroism of Enantiomorphic Kagome Bands in a Designed Covalent Organic Framework
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00882K, PaperQuan Gao, Lei Yang, Zhikuan Wang, Dongmei Li, Bin Cui, Desheng Liu Covalent organic frameworks (COFs) as an emerging class of crystalline organic materials have shown its potential to be a platform of new physics. In this work, a designed COF named... 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 - May 2, 2024 Category: Chemistry Authors: Quan Gao Source Type: research

A regulation strategy of self-assembly molecules for achieving efficient inverted perovskite solar cells
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D4CP00509K, PaperPu-An Lin, Bo Yang, Changqing Lin, Zhenghui Fan, Yu Chen, Wenfeng Zhang, Bing Cai, Jie Sun, Xiaojia Zheng, Wen-Hua Zhang Hydroxyl-rich NiOx and mixed self-assembled monolayer (SAM) based composite hole transport layers were constructed for achieving efficient p –i–n perovskite solar cells. 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 - May 2, 2024 Category: Chemistry Authors: Pu-An Lin Source Type: research

211At on gold nanoparticles for targeted radionuclide therapy application
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Jeffrey Tanudji, Hideaki Kasai, Michio Okada, Tetsuo Ogawa, Susan M. Aspera, Hiroshi Nakanishi Targeted Alpha Therapy (TAT) using211At –AuNP is a new and growing field of multidisciplinary research that would ultimately provide the medical community with another way to treat cancer. 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 - May 1, 2024 Category: Chemistry Authors: Jeffrey Tanudji Source Type: research

Theoretical insights into the adsorption and gas sensing performance of Fe/Cu-adsorbed graphene
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D4CP00561A, PaperNgoc Tri Nguyen, Dai Q. Ho, Nguyen Tien Trung Adding Fe/Cu to graphene enhances the adsorption ability and gas-sensing performance of VOCs. 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 - May 1, 2024 Category: Chemistry Authors: Ngoc Tri Nguyen Source Type: research

Construction of BaTiO3 –TiO2 hollow sphere heterojunctions for enhanced microwave dynamic therapy in cancer treatment
Phys. Chem. Chem. Phys., 2024, Advance Article DOI: 10.1039/D3CP05472A, PaperYaodong Chen, Fangyu Cai, Yadong Liu, Wenwen Fan, Jingjie Wang, Guolin Yin, Jiayi Ren, Jingwei Cao, Yongming Fu, Jie Chen BaTiO3–TiO2 hollow spheres were synthesized for efficient MWDT in cancer treatment, enabling precise tumor elimination with minimal damage to healthy tissues by enhancing production of ROSs upon microwave triggering. 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 - May 1, 2024 Category: Chemistry Authors: Yaodong Chen Source Type: research

Extension of nature's NIR-I chromophore into the NIR-II region
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Kittipan Siwawannapong, James R. Diers, Nikki Cecil M. Magdaong, Phattananawee Nalaoh, Christine Kirmaier, Jonathan S. Lindsey, Dewey Holten, David F. Bocian Two annulated bacteriochlorin isomers exhibit profoundly different spectral and photophysical features, which are attributed to the absence or presence of electronic (and vibronic) mixing ofx- andy-polarized transitions/states. 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 Che...
Source: RSC - Phys. Chem. Chem. Phys. latest articles - May 1, 2024 Category: Chemistry Authors: Kittipan Siwawannapong Source Type: research

One touch is all it takes: the supramolecular interaction between ubiquitin and lanthanide complexes revisited by paramagnetic NMR and molecular dynamics
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Karen Dos Santos, Alessio Bartocci, Natacha Gillet, Sandrine Denis-Quanquin, Amandine Roux, Eugene Lin, Zeren Xu, Raphael Finizola, Pauline Chedozeau, Xi Chen, C édric Caradeuc, Mathieu Baudin, Gildas Bertho, François Riobé, Olivier Maury, Elise Dumont, Nicolas Giraud The supramolecular interaction between lanthanide complexes and proteins is at the heart of numerous chemical and biological studies. Some of these complexes have demonstrated remarkable interaction properties with proteins or... The content of this RSS Feed (c)...
Source: RSC - Phys. Chem. Chem. Phys. latest articles - May 1, 2024 Category: Chemistry Authors: Karen Dos Santos Source Type: research

Symmetry and reactivity of π-systems in electric and magnetic fields: a perspective from conceptual DFT
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Meilani Wibowo-Teale, Bang Cong Huynh, Andrew Michael Teale, Frank De Proft, Paul Geerlings The extension of conceptual density-functional theory (conceptual DFT) to include external electro-magnetic fields in chemical systems is utilised to investigate the effects of strong magnetic fields on the electronic charge... 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 - May 1, 2024 Category: Chemistry Authors: Meilani Wibowo-Teale Source Type: research

Fe3O4-Modified FeCl3/Graphite Intercalation Compound Confinement Architecture for Unleashing High-Performance Anode Potential of Lithium-Ion Batteries
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00847B, PaperKai Zhou, Baiyu Guo, Jun Ma, Siyu Cui, Yuying Bao, Tao Wang, Hailong Qiu, Di Jin Ferric trichloride (FeCl3)-intercalated graphite intercalation compound (GIC) has high reversible capacity and bulk density, making it a promising anode material for lithium ion batteries. But its practical application has 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 - May 1, 2024 Category: Chemistry Authors: Kai Zhou Source Type: research