RSC – Phys. Chem. Chem. Phys. latest articles- Effects of V and Gd doping on novel positive colossal electroresistance and quantum transport in PbPdO2 thin films with (002) preferred orientation April 22, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00837E, PaperHai Jia, Liqiang Zeng, Wenti Guo, Zhiya Lin, Jian-Min Zhang, Xiao-Hui Huang, Zhigao Huang, shaoming YingPbPd0.9V0.1O2 and PbPd0.9Gd0.1O2 thin films with (002) preferred orientation were prepared by using a pulsed laser deposition technique, respectively. The temperature dependence of the resistivities ρI (T) were investigated under...The content of […]Hai Jia
- Phase Textures of Metal-Oxide Nanocomposites Self-Orchestrated by Atomic Diffusions through Precursor Alloys April 22, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D3CP05157A, Communication Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Hannah Shudin, Ryuto Eguchi, Takeshi Fujita, Tomoharu Tokunaga, Ayako Hashimoto, Hideki AbeMetal-oxide nanocomposites (MON) are of pivotal importance as electrode materials yet lack a guiding principle to tune their phase texture. Here […]Hannah Shudin
- Layer-dependent spin texture and origins of Rashba splitting quenching in 2D CsPbI3 perovskite April 22, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00165F, PaperSafieh Nazari, Yavar Taghipour AzarThe spin-orbit coupling (SOC) in all-inorganic perovskite materials containing heavy elements causes interesting electronic characters such as Rashba and Dresselhaus effects. Several studies have reported significant band splitting in the...The content of this RSS Feed (c) The Royal Society of ChemistrySafieh Nazari
- Electronic Structure Analysis and DFT Benchmarking of Rydberg-type Alkali-Metal-Crown Ether, -Cryptand, and -Adamanzane Complexes April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00723A, PaperIsuru R. AriyarathnaDensity functional theory (DFT) and electron propagator theory (EPT) calculations were performed to study ground and excited electronic structures of alkali-metal (M) coordinated 9-Crown-3, 24-Crown-8, [2.1.1]Cryptand, o-Me2-1.1.1, and 36Adamanzane complexes....The content of this RSS Feed (c) The Royal Society of ChemistryIsuru R. Ariyarathna
- An eminent approach towards next generation solvents for sustainable packaging and stability of enzyme: A comprehensive study of ionic liquid and deep eutectic solvent mixtures April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00931B, PaperUrooj Fatima, Nirmala Deenadayalu, Pannuru VenkatesuThe hybrid ionic fluids (HIFs), one of the newly emerging and fascinating sustainable solvent media, which attracts a great deal of scientific interest for protecting the native structure of proteins....The content of this RSS Feed (c) The Royal Society of ChemistryUrooj Fatima
- Re/Ir@Os-Doping Induced Insulator-to-Metal Transition in a Mott-Insulator Ca2 FeOsO6 : Octahedral Distortions Effects April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00746H, PaperSafdar NazirRegardless of several investigations to elucidate the ground states of the strongly correlated electron systems in doped Mott-insulators (MI), the origin of the doping-induced insulator-to-metal transition (IMT) remains an essential...The content of this RSS Feed (c) The Royal Society of ChemistrySafdar Nazir
- Field-Dependent THz Transport Nonlinearities in Semiconductor Nano Structures April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00952E, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Quentin Wach, Michael Tiberius Quick, Sabrine Ayari, Alexander W. AchtsteinCharge transport nonlinearities in semiconductor quantum dots and nanorods are studied. Using a density matrix formalism, we retrieve the field-dependent nonlinear mobility and […]Quentin Wach
- Difference in reaction mechanism between ZnZrOx and InZrOx for CO2 hydrogenation April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00635F, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Shohei Tada, Yurika Ogura, Motohiro Sato, Akihiro Yoshida, Tetsuo Honma, Masahiko Nishijima, Tatsuya Joutsuka, Ryuji KikuchiOxide solid-solution catalysts, such as Zn-doped ZrO2 (ZnZrOx) and In-doped ZrO2 (InZrOx), exhibit distinctive catalytic capabilities for […]Shohei Tada
- Designing Barrier-Free Metal/MoS2 Contacts through Electrene Insertion April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D3CP06112D, PaperMohammad Rafiee Diznab, Adrian F. Rumson, Jesse Maassen, Erin R. JohnsonTransition-metal dichalcogenides (TMDCs), including MoS2, have great potential in electronics applications. However, achieving low-resistance metal contacts is a challenge that impacts their performance in nanodevices, due to strong Fermi-level pinning...The content of this RSS Feed (c) The […]Mohammad Rafiee Diznab
- Theoretical insight into H2O impact on V2O5/TiO2 catalysts for selective catalytic reduction of NOx April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00893F, PaperShengen Zhang, Boyu Wu, Mingtian Huang, Shengyang Zhang, Bo Liu, Bolin ZhangH2O in the flue gas causes the deactivation of V2O5/TiO2 catalysts for selective catalytic reduction(SCR) of NOx with NH3 at low temperatures. Developing water resistance requires understanding the theoretical mechanism of H2O impact on...The content of […]Shengen Zhang
- An approach for patterned molecular adsorption on ferromagnets, achieved via Moiré superstructures April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00809J, PaperSigmund Jensen, Isaac Appelquist Løge, Jesper Bendix, Lars DiekhönerWe have used a Scanning Tunneling Microscope operated under ultrahigh vacuum conditions to investigate an oxo-vanadium-salen complex V(O)salen, that has potential applications as qubits in future quantum-based technologies. The adsorption...The content of this RSS Feed (c) The Royal Society […]Sigmund Jensen
- Site Preference and Local Structural Stability of Bi(III) Substitution in Hydroxyapatite using First-Principles Simulations April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00864B, PaperGerardo Martin Quindoza, Yasuhiro Nakagawa, Hayato Laurence Mizuno, Yasutaka Anraku, Richard Espiritu, Toshiyuki IkomaBismuth (Bi(III)) substitution in hydroxyapatite (HAp) lattice confers unique properties such as antibacterial, catalytic, radiosensitization, and conductive properties while preserving the innate bioactivity of HAp. Understanding local structural changes upon...The content of this RSS […]Gerardo Martin Quindoza
- Size-dependent reactivity of VnO+ (n =1-9) clusters with ethane April 21, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00857J, PaperHang Zhou, Man Ruan, Qing-Yu Liu, Yan-Xia Zhao, Ruiyong Wang, Yuan Yang, Sheng-Gui HeCost-effective and readily accessible 3d transition metals (TMs) have been considered as promising candidates for alkane activation while 3d TMs especially the early TMs are usually not very reactive with...The content of this RSS […]Hang Zhou
- Thermoelectric properties of Bi1−xPbxCu1−xSeO oxyselenides April 21, 2024Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP00308J, PaperAleksandra Khanina, Andrei Novitskii, Daria Pashkova, Andrei Voronin, Takao Mori, Vladimir KhovayloSimultaneous Bi to Pb substitution and Cu vacancies enhance power factor, increasing zT. Lattice thermal conductivity, crucial for zTmax, is greatly influenced by synthesis method.To cite this article before page numbers are assigned, use the DOI […]Aleksandra Khanina
- Metal–ring interactions in group 2 ansa-metallocenes: assessed with the local vibrational mode theory April 21, 2024Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP00225C, PaperJuliana J. Antonio, Elfi KrakaAn exploration of group two ansa-metallocenes for solvent effects, interannular bridges, and quantitative bond strength through local mode analysis.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 […]Juliana J. Antonio
- Construction of heterojunction BaTiO3-TiO2 hollow spheres for enhanced microwave dynamic therapy in cancer April 19, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D3CP05472A, PaperYaodong Chen, Fangyu Cai, Yadong Liu, Wenwen Fan, Jingjie Wang, Guolin Yin, Jiayi Ren, Jingwei Cao, Yongming Fu, Jie ChenCancer is one of the primary health concerns among humans due to its high incidence rate and lack of effective treatment. Currently, medical techniques to achieve the precise […]Yaodong Chen
- Magnetism of single-doped paramagnetic tin clusters studied using temperature-dependent Stern–Gerlach experiments with enhanced sensitivity: impact of the diamagnetic ligand field and paramagnetic dopant April 18, 2024Phys. Chem. Chem. Phys., 2024, Advance ArticleDOI: 10.1039/D4CP00890A, PaperFilip Rivic, Rolf SchäferArachno-type geometries have been validated for Sn14TM (with TM = Cr, Mn, Fe) by cryogenic electric beam deflection. Variable temperature Stern–Gerlach experiments reveal that Sn14Cr is a singlet, Sn14Mn a doublet and Sn14Fe most probably a triplet.To cite this article before page numbers are […]Filip Rivic
- Rotational spectroscopy of methyl tert-butyl ether with a new Ka band chirped-pulse Fourier transform microwave spectrometer April 18, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00797B, PaperKyle N Crabtree, John Harper Westerfield, Chisom Adaobi Dim, Kelly Suzanne Meyer, Sommer Lynn Johansen, Zachary Scott Buchanan, Paul A StuckyChirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy is a powerful tool for performing broadband gas-phase rotational spectroscopy, and its applications include discovery of new molecules, complex mixture analysis, […]Kyle N Crabtree
- Ultrafast Control of the LnF+/LnO+ Ratio from Ln(hfac)3 April 18, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00337C, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jiangchao Chen, Xi Xing, Roberto Rey-de-Castro, Herschel RabitzThe photo-induced dissociative ionization of lanthanide complexes Ln(hfac)3 (Ln = Pr, Er, Yb) is studied using ultrafast shaped laser pulses in a time-of-flight (TOF) mass […]Jiangchao Chen
- Dissociation of HeH+ in the electronic ground state using shaped Mid-IR laser pulses April 18, 2024Phys. Chem. Chem. Phys., 2024, Accepted ManuscriptDOI: 10.1039/D4CP00852A, PaperKasper Linger Effersø, Niels Engholm HenriksenInspired by recent experimental work, we study the control over the laser-driven dissociation of the HeH+ ion in the electronic ground state. Shaped pulses with peak intensities below 10^12 W/cm^2...The content of this RSS Feed (c) The Royal Society of ChemistryKasper Linger Effersø
- Effects of V and Gd doping on novel positive colossal electroresistance and quantum transport in PbPdO2 thin films with (002) preferred orientation April 22, 2024
