Infrared Photodissociation Spectroscopy of Ion-Radical Networks in the Cationic Dimethylamine Complexes
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05597A, PaperXin Lei, Xiang-Tao Kong, Zhi Zhao, Bingbing Zhang, Dongxu Dai, Xueming Yang, Ling Jiang Cryogenic ion-trap infrared photodissociation spectroscopy was employed to establish the general trends in the stepwise growth motif of the cationic dimethylamine (DMA)n+ (n = 4-13) complexes. Electronic structure calculations were... 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 - October 23, 2018 Category: Chemistry Authors: Xin Lei Source Type: research

Photo-irradiated E/Z Isomerization Reaction of Star-shaped Isomers Containing Two Cyanostilbene Arms with Charge Transfer Excited States
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05581E, PaperJin Liu, Weijun Li, Minjie Liu, Yujie Dong, Yuyu Dai, Qingbao Song, Jianli Wang, Cheng Zhang The E/Z isomerization reaction of multi-cyanostilbene molecule is still not clear enough. Herein, we designed and synthesized three star-shaped molecular isomers with a triphenylamine core linked two cyanostilbene groups with... 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 - October 23, 2018 Category: Chemistry Authors: Jin Liu Source Type: research

Novel electronic structures and enhanced optical properties of boron phosphide/blue phosphorene and F4TCNQ/blue phosphorene heterostructures: a DFT + NEGF study
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05119D, PaperLeqian Du, Kai Zheng, Heping Cui, Yunhao Wang, Lu-Qi Tao, Xianping Chen Blue phosphorene (Blue-p), an allotrope of black phosphorene, has attracted extensive interests due to its hexagonal crystal with a flat arranged layer of phosphorus atoms. However, the indirect band gap... 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 - October 23, 2018 Category: Chemistry Authors: Leqian Du Source Type: research

Monitoring cis-to-trans isomerization of azobenzene using terahertz time-domain spectroscopy
We present terahertz time-domain spectroscopy (THz-TDS) to explore the conformational dynamics of thermally induced and photoinduced isomerization of azobenzene. 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 - October 22, 2018 Category: Chemistry Authors: Lu Zhou Source Type: research

General Existences of Flexural Mode Doublets in Nanowires Targeting Vectorial Sensing Applications
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05408H, PaperZhuoqun Zheng, Haifei Zhan, Yihan Nie, Arixin Bo, Xu Xu, Yuantong Gu Nanowire (NW) is one of the fundamental building blocks for nanoscale devices, and it has been frequently utilized as mechanical resonators. Earlier studies show that ultra-sensitive vectorial sensing toolkits can... 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 - October 22, 2018 Category: Chemistry Authors: Zhuoqun Zheng Source Type: research

Control of TiN oxidation upon atomic layer deposition of oxides
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP06076B, PaperElena Olegovna Filatova, Sergei Sakhonenkov, Aleksei Konashuk, Valeri Afanasiev Interfaces of physical-vapor deposited (PVD)-TiN electrode with atomic-layer deposited (ALD) HfO2 layers were studied using photoelectron spectroscopy with high energies enabling the nondestructive in-depth chemical profiling and phase analysis. Our... 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 - October 22, 2018 Category: Chemistry Authors: Elena Olegovna Filatova Source Type: research

Giant Rashba type spin orbit coupling in binary hexagonal PX nanosheets (X = As, Sb, and Bi)
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05426F, PaperLiyan Zhu, Tingting Zhang, Guibin Chen, Huabao Chen We theoretically propose that the Rashba-type band splitting can be achieved in binary alloyed hexagonal PX nanosheets (X = As, Sb, and Bi). The lack of inversion symmetry results 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 - October 22, 2018 Category: Chemistry Authors: Liyan Zhu Source Type: research

Reduced structural flexibility for an exonuclease deficient DNA polymerase III mutant
This article is licensed under aCreative Commons Attribution 3.0 Unported Licence.Hailey L. Gahlon, Alice R. Walker, G. Andr és Cisneros, Meindert H. Lamers, David S. Rueda DNA synthesis, carried out by DNA polymerases, requires balancing speed and accuracy for faithful replication of the genome. 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 - October 22, 2018 Category: Chemistry Authors: Hailey L. Gahlon Source Type: research

A Combined Experimental and Theoretical Study of Optical Rotatory Dispersion for (R)-Glycidyl Methyl Ether in Aqueous Solution
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04445G, PaperFranco Egidi, Tommaso Giovannini, Gianluca Del Frate, Paul M Lemler, Patrick H Vaccaro, Chiara Cappelli The dispersive optical activity for aqueous solutions of non-rigid (R)-glycidyl methyl ether (R-GME) has been explored synergistically from experimental and theoretical perspectives. Density functional theory analyses performed with the polarizable... 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 - October 22, 2018 Category: Chemistry Authors: Franco Egidi Source Type: research

Understanding Gold Nanoparticle Dissolution in Cyanide-Containing Solution via Impact-Chemistry
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05154B, PaperAlex Lukmanto Suherman, Giorgia Zampardi, Sabine Kuss, Eden Elizabeth Louise Tanner, Hatem M.A. Amin, Neil P Young, Richard G Compton The electrochemical dissolution of citrate-capped gold nanoparticles (AuNPs) was studied in cyanide (CN-) containing-solutions. It was found that the gold nanoparticles showed different dissolution behaviour as ensembles than as single... 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 - October 22, 2018 Category: Chemistry Authors: Alex Lukmanto Suherman Source Type: research

Second-order Nonlinear Optical Properties of Sten- house Photoswitches: Insights from Density Func- tional Theory
We report the first investigation of the second-order nonlinear optical (NLO) properties of donor −acceptor Stenhouse adducts (DASAs), an emerging class of colored photochromes that undergo photoswitching with visible light to... 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 - October 22, 2018 Category: Chemistry Authors: Claire Tonnel é Source Type: research

A novel sponge-like 2D Ni/derivative heterostructure to strengthen microwave absorption performance
In this study,... 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 - October 22, 2018 Category: Chemistry Authors: biao zhao Source Type: research

Negative/Zero Thermal Expansion in Black Phosphorus Nanotubes
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05755A, PaperLei Wang, Cong Wang Black phosphorus nanotubes (BPNTs) as new 1D materials have very promising prospects in nanoelectronics devices. Taking into account that the effect of finite temperature on nanoelectronic devices is indispensable, we... 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 - October 22, 2018 Category: Chemistry Authors: Lei Wang Source Type: research

Mechanical, Thermal, and Electrochemical Properties of Pr Doped Ceria from Wafer Curvature Measurements
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04802A, PaperYuxi Ma, Jason D. Nicholas This work demonstrates, for the first time, that a variety of disparate and technologically-relevant thermal, mechanical, and electrochemical oxygen-exchange material properties can all be obtained from in situ, current-collector-free wafer... 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 - October 21, 2018 Category: Chemistry Authors: Yuxi Ma Source Type: research

Mixed transitions in the UV photodissociation of propargyl chloride revealed by slice imaging and mul- tireference ab initio calculations
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04596H, PaperCasey Foley, Baptiste Joalland, S. Tahereh Alavi, Arthur Suits Resonance-enhanced multiphoton ionization (REMPI) and DC slice imaging were used to detect photoproducts Cl (2P3/2), spin-orbit excited Cl* (2P1/2), and C3H3 in the photodissociation of propargyl chloride at 212 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 - October 20, 2018 Category: Chemistry Authors: Casey Foley Source Type: research

Inverse Mean Field Theories
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03763A, PaperPeter Schmitteckert In this work we discuss the extraction of mean field single particle Hamiltonians from a many body wave function of a fermionic system. While we primarily discuss lattice models we... 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 - October 19, 2018 Category: Chemistry Authors: Peter Schmitteckert Source Type: research

Maximizing NMR signal per unit time by facilitating fast e-e-n cross effect DNP
In this study, we focused on the three... 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 - October 19, 2018 Category: Chemistry Authors: Alisa Leavesley Source Type: research

Oxygen-defect-dependent ferromagnetism and strain modulation in free-standing two-dimensional TiO2 monolayers
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP05223A, PaperLifen Wang, Gang Zhou, Yun Shan, Zhichun Huang, Lizhe Liu In TiO2 monolayers, magnetic behavior can be generated by oxygen defects and can be regulated by external strain. 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 - October 19, 2018 Category: Chemistry Authors: Lifen Wang Source Type: research

On molecular optical nonlinearity of halogen-bond-forming azobenzenes
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05392H, PaperMatti Virkki, Anthony Maurice, Alessandra Forni, Maurizio Sironi, Valentina Dichiarante, Pierre-Francois Brevet, Pierangelo Metrangolo, Martti Kauranen, Arri Priimagi We study hyper-Rayleigh scattering and computed molecular hyperpolarizability on a series of azobenzene chromophores in chloroform and dimethylformamide as solvents. The chromophores form halogen or hydrogen bonds of varying strength... 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 - October 19, 2018 Category: Chemistry Authors: Matti Virkki Source Type: research

Gravimetric tank method to evaluate material-enhanced hydrogen storage by physisorbing materials.
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Artem Iakunkov, Alexey Klechikov, Jinhua Sun, Timothy Steenhaut, Sophie Hermans, Yaroslav Filinchuk, Alexander Talyzin The most common methods to evaluate hydrogen sorption (volumetric and gravimetric) require significant experience and expensive equipment for providing reproducible results. Both methods allow to measure excess uptake values which... 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 - October 19, 2018 Category: Chemistry Authors: Artem Iakunkov Source Type: research

Insights into catalytic roles of noble-metal-free catalysts CoxSy for reduction of 4-nitrophenol
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05309J, CommunicationRongmei Zhou, Xiaoyan Yang, Peng Zhang, Lixia Yang, Chengwei Liu, Dan Liu, Jianzhou Gui To develop noble-metal-free catalysts, three CoxSysamples, i.e. Co9S8, CoS and CoS2, have been prepared and investigated for the reduction of 4-nitrophenol. It is demonstrated that multivalent Co of Co9S8... 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 - October 19, 2018 Category: Chemistry Authors: Rongmei Zhou Source Type: research

Probing Spatial Coupling of Resistive Modes in Porous Intercalation Electrodes through Impedance Spectroscopy
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05109G, PaperAashutosh Mistry, Partha Mukherjee In porous intercalation electrodes, coupled charge and species transport interactions take place at the pore-scale, while often observations are made at the electrode-scale. The physical manifestation these interactions from pore-... 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 - October 19, 2018 Category: Chemistry Authors: Aashutosh Mistry Source Type: research

Theoretical Rationalisation of the Photophysics of TICT Excited State of Cinnamoyl-Coumarin Derivatives in Homogeneous and Biological Membrane Models
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04963G, PaperDaniel Z úñiga-Núñez, Ricardo A Zamora, Pablo Barrias, Cristian Andres Tirapegui, Horacio Poblete, Gloria Cardenas-Jiron, Emilio Alarcon, Alexis Aspee A new hybrid cinnamoyl-coumarin probe was synthesised to study the formation and dynamics of a twisted internal charge transfer (TICT) excited state in homogeneous and biological membrane models. This probe... 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 - October 19, 2018 Category: Chemistry Authors: Daniel Z úñiga-Núñez Source Type: research

Photoinduced electron and hole transfers in carbazole dendrimers with heteroleptic Ir-complex cores
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04971H, PaperSo-Yoen Kim, Yang-Jin Cho, Bo-Sun Yun, Ho-Jin Son, Dae Won Cho, Sang Ook Kang We synthesised carbazole (Cz) dendrimers with heteroleptic Ir-complex cores. Upon excitation of the carbazole (Cz) dendrons, the phosphorescence of the core Ir(III) complex was quenched due to the photoinduced electron... 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 - October 19, 2018 Category: Chemistry Authors: So-Yoen Kim Source Type: research

Extrapolation of High-Order Correlation Energies: The WMS Model
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04973D, PaperYan Zhao, Lixue Xia, Xiaobin Liao, Qiu He, Maria X Zhao, Donald G. Truhlar We have developed two new composite model chemistry methods (WM-1 and WM 2) with three characteristics: (1) an extrapolation scheme to obtain the CCSD(T)/CBS valence correlation energy with the affordability... 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 - October 19, 2018 Category: Chemistry Authors: Yan Zhao Source Type: research

Proton transfer triggered proton transfer: a self-assisted twin excited state intramolecular proton transfer
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03835J, PaperSaugata Sahu, Minati Das, Aditya Kumar Bharti, G. Krishnamoorthy The double excited state intramolecular proton transfer (ESIPT) of 3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazole (bis-HPTA) has been investigated and found to undergo a new type of proton transfer. 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 - October 18, 2018 Category: Chemistry Authors: Saugata Sahu Source Type: research

Experimental and theoretical insights into the influence of electronic density on proton-transfer reactions
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03185A, PaperEduardo Gomez, Noem í Alarcos, Cristina Monterde, Félix Sánchez, Miquel Moreno, Abderrazzak Douhal Time-resolved and theoretical studies elucidating the origin of abnormally slow proton-motion dynamics in solutions. 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 - October 18, 2018 Category: Chemistry Authors: Eduardo Gomez Source Type: research

Fine tuning of electron transfer and spin chemistry parameters in triarylamine –bridge–naphthalene diimide dyads by bridge substituents
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP04910F, PaperJulian Sch äfer, Marco Holzapfel, Alexander Schmiedel, Ulrich E. Steiner, Christoph Lambert A series of donor –acceptor dyads with diversemeta-conjugated benzene bridges show a pronounced magnetic field dependent charge recombination. 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 - October 18, 2018 Category: Chemistry Authors: Julian Sch äfer Source Type: research

Charge separation at an organic/inorganic nano-hybrid interface: atomistic simulations of a para-sexiphenyl ZnO system
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03978J, PaperThomas Plehn, Dirk Ziemann, Volkhard May A prototypical organic/inorganic interface is considered which is formed by vertical stacking of 20para-sexiphenyl molecules physisorbed on a ZnO nano-cluster of 3903 atoms. 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 - October 18, 2018 Category: Chemistry Authors: Thomas Plehn Source Type: research

Potential dependent capacitance of [EMIM][TFSI], [N1114][TFSI] and [PYR13][TFSI] ionic liquids on glassy carbon
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP04631J, PaperJeffrey M. Klein, Evio Panichi, Burcu Gurkan Potential dependent capacitance of [N1114][TFSI] suggests the crowding mechanism at the wings of the potential range and overscreening near PZC. 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 - October 18, 2018 Category: Chemistry Authors: Jeffrey M. Klein Source Type: research

Electron –phonon interaction and superconductivity in the high-pressure cI16 phase of lithium from first principles
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP05455J, PaperSheng-Ying Yue, Long Cheng, Bolin Liao, Ming Hu Superconductivity in different phases of lithium (Li) under high pressure has been widely studied. Here, we study the electron –phonon interaction and superconductivity in one interesting high-pressure phase of Li (cI16) between 45 GPa and 76 GPa. 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 - October 18, 2018 Category: Chemistry Authors: Sheng-Ying Yue Source Type: research

Tracking the interfacial charge transfer behavior of hydrothermally synthesized ZnO nanostructures via complementary electrogravimetric methods
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP03593H, PaperWanli Gao, Hubert Perrot, Ozlem Sel The mechanism of species fluxes during the charge –discharge process in a nanostructured ZnO electrode was studied by a combined methodology of electrochemical quartz-crystal microbalance (EQCM) andac-electrogravimetry. 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 - October 18, 2018 Category: Chemistry Authors: Wanli Gao Source Type: research

Tuning oxygen electrocatalysis via strain on LaNiO3(001)
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02405G, PaperSimuck F. Yuk, Valentino R. Cooper Theoretical insights into the influence of strain on the mechanisms of the oxygen evolution and oxygen reduction reactions on LaNiO3(001). 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 - October 18, 2018 Category: Chemistry Authors: Simuck F. Yuk Source Type: research

Distinguishing Ionic and Radical Mechanisms of the Hydroxylamines Mediated Electrocatalytic Alcohol Oxidation using the NO-H Bond Dissociation Energy
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP06134C, PaperRina Dao, Chenxuan Zhao, Jia Yao, Haoran Li Mechanism of N-oxyl radical catalyzed oxidation is a long-standing scientific problem. In this work, the radical or ionic mechanism in electrocatalytic oxidation of alcohols is discussed on the NO-H bond... 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 - October 18, 2018 Category: Chemistry Authors: Rina Dao Source Type: research

Fast screening of porous material for noble gas adsorption and separation: a classical density functional approach
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP03777A, PaperFangyuan Guo, Yu Liu, Jun Hu, Honglai Liu, Ying Hu The designing and screening of porous materials for noble gas adsorption and separation is an important issue in the production and utilization of the gases. The conventional method to do... 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 - October 18, 2018 Category: Chemistry Authors: Fangyuan Guo Source Type: research

Modeling of the electrochemical double layer and its impact on intercalation reactions
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05113E, PaperJessica Lueck, Arnulf Latz We deduce a generic interface theory to describe charge and electron transfer reactions at electrified interfaces based on fundamental principles. Considering the contact between a solid electrode and a liquid... 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 - October 18, 2018 Category: Chemistry Authors: Jessica Lueck Source Type: research

Tuning phase transitions of aqueous protein solutions by multivalent cations
This article is licensed under aCreative Commons Attribution-NonCommercial 3.0 Unported Licence.Olga Matsarskaia, Felix Roosen-Runge, Gudrun Lotze, Johannes M öller, Alessandro Mariani, Fajun Zhang, Frank Schreiber In the presence of trivalent cations, negatively charged globular proteins show a rich phase behaviour including reentrant condensation, crystallisation, clustering and lower critical solution temperature metastable liquid-liquid phase separation (LCST-LLPS).... 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 - October 18, 2018 Category: Chemistry Authors: Olga Matsarskaia Source Type: research

Vibrational Properties and Raman Spectra of Pristine and Fluorinated Blue Phosphorene
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05699D, PaperZexiang Deng, Zhibing Li, Weiliang Wang, Juncong She Using the density functional theory, we investigated the vibrational properties and Raman spectra of the pristine blue phosphorene and fluorinated blue phosphorene. The fluorinated blue phosphorene possesses a Dirac cone... 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 - October 18, 2018 Category: Chemistry Authors: Zexiang Deng Source Type: research

Multianalytical approach to surface- and tip-enhanced infrared spectroscopy study of molecule-metal conjugate: deducing the adsorption geometry
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05587D, PaperEwa Pi ęta, Czesława Paluszkiewicz, Wojciech M Kwiatek This research presents a multianalytical approach to the surface-enhanced infrared absorption spectroscopy (SEIRA) and tip-enhanced infrared nanospectroscopy (TEIRA) studies of α-methyl–DL–tryptophan adsorption geometry on a gold nanoparticle surface. Comparison 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 - October 18, 2018 Category: Chemistry Authors: Ewa Pi ęta Source Type: research

Influence of membrane lipid composition on the structure and activity of γ-secretase
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04138E, PaperRodrigo Aguayo-Ortiz, John Straub, Laura Dominguez γ-Secretase (GS) is a multi-subunit membrane-embedded aspartyl prote-ase that cleaves more than 80 integral membrane proteins, including the amyloid precursor protein (APP) to produce the amyloid-β (Aβ) peptide. Oligomerization 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 - October 18, 2018 Category: Chemistry Authors: Rodrigo Aguayo-Ortiz Source Type: research

Topologically close-packed characteristic of amorphous Tantalum
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05897K, PaperZhizhou Wu, Yun-fei Mo, Lin Lang, Aibing Yu, Quan Xie, Rang-su Liu, Ze-an Tian The structural evolution of Tantalum (Ta) during rapid cooling was investigated by molecular dynamics simulation, in terms of the system energy, the pair distribution function, and the largest standard cluster... 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 - October 18, 2018 Category: Chemistry Authors: Zhizhou Wu Source Type: research

Hybrid functional calculation of electronic and thermoelectric properties of GaS, GaSe, and GaTe monolayer
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04723E, PaperBhagwati Prasad Prasad Bahuguna, Lalit Kumar Saini, Rajesh Omprakash Sharma, Brajesh Tiwari Motivated by the recent success in the experimental synthesis of two-dimensional group-III monochalcogenides, we investigate the structural, electronic and thermoelectric properties of GaS, GaSe and GaTe monolayer based on 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 - October 18, 2018 Category: Chemistry Authors: Bhagwati Prasad Prasad Bahuguna Source Type: research

Detailed Kinetics of Tetrafluoroethene Ozonolysis
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP05386C, PaperTam V.-T. Mai, Minh v Duong, Hieu Thanh Nguyen, Lam Kim Huynh The C2F4 + O3 reaction plays an important role in the oxidation process of perfluoroalkenes in the atmosphere. The detailed reaction mechanism was explored at the accurate electronic structure 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 - October 18, 2018 Category: Chemistry Authors: Tam V.-T. Mai Source Type: research

Assessment of Electronic Transitions Involving Intermolecular Charge Transfer in Complexes Formed by Fullerenes and Donor-Acceptor Nanohoops
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04119A, PaperIvan Gonzalez-veloso, Jesus Rodriguez-Otero, Enrique M. Cabaleiro-Lago Complexes formed by fullerenes C60/C70 and substituted cycloparaphenylenes with the capability to act as donor/acceptor pairs ([10]CPAq and [10]CPTcaq nanohoops), have been studied using density functional theory methods empirically corrected... 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 - October 18, 2018 Category: Chemistry Authors: Ivan Gonzalez-veloso Source Type: research

Direct observation of atomic step edges on rutile TiO2(110)-(1 ×1) surface using atomic force microscopy
Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP06156D, PaperHuan Fei WEN, Masato Miyazaki, Quanzhen Zhang, Yuuki Adachi, Yanjun Li, Yasuhiro Sugawara Clarifying the atomic configuration of step edges on rutile TiO2 surface is crucial for understanding its fundamental reactivity, and a direct observation of atomic step edges is still a challenge.... 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 - October 18, 2018 Category: Chemistry Authors: Huan Fei WEN Source Type: research

Molecular dynamics study on ions and water confined in the nanometer channel of Friedel's salt: structure, dynamics and interfacial interaction
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP02450B, PaperPenggang Wang, Yuting Jia, Tao Li, Dongshuai Hou, Qi Zheng As a promising layered double hydroxide, Friedel's salt has gained popularity. 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 - October 17, 2018 Category: Chemistry Authors: Penggang Wang Source Type: research

Studying NAD(P)H cofactor-binding to alcohol dehydrogenases through global analysis of circular dichroism spectra
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP04869J, PaperMarija Marolt, Steffen L üdeke NAD(P)H-titration circular dichroism spectra of alcohol dehydrogenases tell us how strong and in what conformation the cofactor binds to the enzyme. 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 - October 17, 2018 Category: Chemistry Authors: Marija Marolt Source Type: research

Nanoscopic structures and molecular interactions leading to a dystectic and two eutectic points in [EMIm][Cl]/urea mixtures
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP04912B, PaperUlrike Cerajewski, Jennica Tr äger, Selgar Henkel, Andreas H. Roos, Martin Brehm, Dariush Hinderberger Deep eutectic solvents (DES) are a novel class of ionic liquid-based solvents, combining an organic salt and a hydrogen bond acceptor (HBA) at specific molar ratios. 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 - October 17, 2018 Category: Chemistry Authors: Ulrike Cerajewski Source Type: research

The involvement of carbon-centered radicals in the aging process of coals under atmospheric conditions: an EPR study
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP04098B, PaperTze'ela Taub, Sharon Ruthstein, Haim Cohen Measuring radical concentration in varied coals, as a function of reaction with O2. Dependency of radical formation within this 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 - October 17, 2018 Category: Chemistry Authors: Tze'ela Taub Source Type: research

The mechanochemical synthesis of PbTe nanostructures: following the Ostwald ripening effect during milling
Phys. Chem. Chem. Phys., 2018, Advance Article DOI: 10.1039/C8CP04915G, PaperH. Rojas-Ch ávez, H. Cruz-Martínez, E. Flores-Rojas, J. M. Juárez-García, J. L. González-Domínguez, N. Daneu, J. Santoyo-Salazar A fundamental understanding of the Ostwald ripening effect (ORE) during the mechanochemical synthesis of PbTe nanostructures is presented. 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 - October 17, 2018 Category: Chemistry Authors: H. Rojas-Ch ávez Source Type: research