Two-dimensional Mo1-xB2 with ordered metal vacancies obtained for advanced thermoelectric applications based on first-principles calculations
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00319E, PaperJie Pu, Ziyu Hu, Xiaohong Shao The study and development of high thermoelectric properties is crucial for the next generation of microelectronic and wearable electronics. Derived from the recently experimental realization layers in transition metal molybdenum... 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 5, 2024 Category: Chemistry Authors: Jie Pu Source Type: research

New insight into the role of the self-assembly of heteroatom compounds in heavy oil viscosity enhancement
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP05416K, PaperJichao Fang, Bingyu Ji, Xueyu Wang, Shideng Yuan, Haiying Yu Unveiling the role of heteroatom compounds in heavy oil viscosity is pivotal for finding targeted viscosity reduction methods to improve oil recovery. This research investigates the impact of heteroatoms in... 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 5, 2024 Category: Chemistry Authors: Jichao Fang Source Type: research

Time-Resolved Keto-Enol Tautomerization of the Medicinal Pigment Curcumin
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP01006J, PaperMandy H. M. Leung, Matthew A. Addicoat, Stephen F. Lincoln, Gregory F Metha, Tak W. Kee Curcumin is a medicinal agent that exhibits anti-cancer and anti-Alzheimer ’s disease properties. It has a keto-enol moiety that gives rise to many of its chemical properties including metal complexation and... 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 4, 2024 Category: Chemistry Authors: Mandy H. M. Leung Source Type: research

Contactless analysis of surface passivation and charge transfer at TiO2 –Si interface
This study investigates... 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 4, 2024 Category: Chemistry Authors: Ramsha Khan Source Type: research

Direct reduction of NO into N2 catalyzed by fullerene-supported rhodium clusters
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP01398K, PaperRuomeng Li, Yake Li, Jian-Zhi Xu, Gao-Lei Hou Catalytic conversion of NO has long been a focus of both atmospheric pollution control and diesel vehicle exhaust treatment. Rhodium is one of the most effective metals for catalyzing NO,... 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 4, 2024 Category: Chemistry Authors: Ruomeng Li Source Type: research

Designing singlet fission materials with an anti-Kasha behaviour
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Ricardo Pino-Rios, Rodrigo B áez-Grez, Dariusz Wojciech Szczepanik, Miquel Solà Anti-Kasha azulene derivatives that could carry out singlet fission (SF) have been designed. For this purpose, substituted azulenes with a donor- ( –OH) and/or an acceptor-group (–CN) have been systematically studied.... 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 4, 2024 Category: Chemistry Authors: Ricardo Pino-Rios Source Type: research

Why orientation of azulene affects two-photon activity in a porphyrinoid-azulene system?
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00438H, PaperSwati Singh Rajput, Nikita Raghuvanshi, Tejendra Banana, Pooja Yadav, Md Mehboob Alam Attaching a dipolar molecule in a symmetric system induces a major change in the electronic structure which may be reflected as the enhancement of the optical and charge-transfer properties 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 - May 4, 2024 Category: Chemistry Authors: Swati Singh Rajput Source Type: research

Molecular beam study of CO oxidation on Pd clusters supported on alumina: effect of cluster size
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Georges Sitja, Claude R Henry The activity in CO oxidation of regular arrays of Pd clusters, in the size range 5 – 180 atoms, supported on alumina has been studied by a molecular beam method.... 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 4, 2024 Category: Chemistry Authors: Georges Sitja Source Type: research

Ab Initio Calculation of Magnetic Anisotropy and Thermal Spin Transition in the Variable Temperature Crystal Conformations of [Co(terpy)2]2+
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00591K, PaperMoromi Nath, Shalini Joshi, Sabyashachi Mishra The structure-property correlation of [Co(terpy)2]2+, which shows a spin crossover at 270 K, has been computationally investigated based on its variable temperature crystal structures. Among the employed DFT functionals, only... 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 4, 2024 Category: Chemistry Authors: Moromi Nath Source Type: research

Mechanistic Understanding of the Thermal-Assisted Photocatalytic Oxidation of Methanol-to-Formaldehyde with Water Vapor over Pt/SrTiO3
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Michel Deitermann, Takuma Sato, Yannik Haver, Alexander Schnegg, Martin Muhler, Bastian Mei Anaerobic thermal-assisted photocatalytic methanol conversion in the gas phase in the presence of water vapor has been suggested as an interesting way to generate formaldehyde as a valuable coupled product... 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 4, 2024 Category: Chemistry Authors: Michel Deitermann Source Type: research

Fabrication of Polycrystalline Phosphorus-doped Diamond Electrodes from Red Phosphorus
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D3CP06018G, PaperTomokiyo Moriguchi, Mai Tomisaki, Susumu Sato, Jin Nakamura, Hideaki Yamada, Yasuaki Einaga Polycrystalline phosphorus-doped diamond was fabricated by the quartz-tube-type microwave plasma-assisted chemical vapor deposition method. Significantly, red phosphorus was used as a source of phosphorous, instead of PH3. Phosphorus-doped diamond electrodes... 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 4, 2024 Category: Chemistry Authors: Tomokiyo Moriguchi Source Type: research

Interplays between transition-metal K-edge XMCD, slight structural distortions and magnetism in a series of trimetallic (CoxNi(1-x))4[Fe(CN)6]3/8 Prussian Blue Analogs.
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Adama N'Diaye, Am élie Bordage, Lucie Nataf, François Baudelet, Eric Riviere, Anne Bleuzen The magnetic properties of a series of trimetallic (Co,Ni)Fe Prussian blue analogs (PBA) were investigated by SQUID magnetometry and X-ray Magnetic Circular Dichroism (XMCD) at the three Transition Metals (TM)... 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 4, 2024 Category: Chemistry Authors: Adama N'Diaye Source Type: research

Strain-induced ferroelectric polarization reversal without undergoing geometric inversion in blue SiSe monolayer
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00558A, PaperYandong Guo, Ruijie Meng, Xueqin Hu, Liyan Lin, Yu-Rong Yang, Mingyu Yang, Yun You, Lanqi Zhang, Yilong Xu, Xiaohong Yan Ferroelectricity in two-dimensional (2D) systems generally arises from phonons and has been widely investigated. Contrary to it, electronic ferroelectricity in 2D systems has been rarely studied. Using first-principles calculations, 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 4, 2024 Category: Chemistry Authors: Yandong Guo Source Type: research

Footprints of atomic-scale features in plasmonic nanoparticles as revealed by Electron Energy Loss Spectroscopy
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Mattin Urbieta, Marc Barbry, Peter Koval, Alberto Rivacoba, Daniel S ánchez-Portal, Javier Aizpurua, Nerea Zabala We present a first-principles theoretical study of the atomistic footprints in the valence Electron Energy Loss Spectroscopy (EELS) of nanometer-size metallic particles. Charge density maps of excited plasmons and EEL... 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 4, 2024 Category: Chemistry Authors: Mattin Urbieta Source Type: research

Narrowband emission from fully bridged triphenylamine derivatives: Insight into effects of structure modification and pressure
Phys. Chem. Chem. Phys., 2024, Accepted Manuscript DOI: 10.1039/D4CP00906A, PaperQing Zhang, Tao Liu, Yuhua Guo, Yujian Zhang, Chunyan Lv, Yue Zhang, Zexing Cao Triphenylamine derivatives with narrowband emission have drawn growing attention in purely organic thermally activated fluorescence (TADF) materials due to their inspired color purity and flexible molecular design strategy. The combined... 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 4, 2024 Category: Chemistry Authors: Qing Zhang Source Type: research