me Shifting formic acid dimers into perspective: vibrational scrutiny in helium nanodroplets By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9637-9646DOI: 10.1039/D0CP01060J, PaperKatharina A. E. Meyer, Julia A. Davies, Andrew M. EllisA metastable dimer of formic acid has been prepared inside superfluid helium nanodroplets and examined using IR spectroscopy and quantum chemical calculations.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Theoretical study of the mechanism behind the site- and enantio-selectivity of C–H functionalization catalysed by chiral dirhodium catalyst By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9561-9572DOI: 10.1039/D0CP00249F, PaperMeijuan Zhou, Michael SpringborgA detailed mechanism for the high site- and enantio-selectivity of C–H bond functionalization when using a chiral dirhodium catalyst is presented.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Phase separation in pore-spanning membranes induced by differences in surface adhesion By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9308-9315DOI: 10.1039/D0CP00335B, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jeremias Sibold, Vera E. Tewaag, Thomas Vagedes, Ingo Mey, Claudia SteinemA porous scaffold providing different adhesion energies alters the behaviour of coexisting phases in lipid membranes considerably.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Feed gas exchange (startup/shutdown) effects on Pt/C cathode electrocatalysis and surface Pt-oxide behavior in polymer electrolyte fuel cells as revealed using in situ real-time XAFS and high-resolution STEM measurements By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9424-9437DOI: 10.1039/C9CP06895C, PaperGabor Samjeské, Takuma Kaneko, Takao Gunji, Kotaro Higashi, Tomoya Uruga, Mizuki Tada, Yasuhiro IwasawaFeed gas exchange (startup/shutdown) effects on Pt/C electrocatalysis and surface Pt-oxide behavior in PEFC were investigated by in situ real-time XAFS, synchronized with CV, and high-resolution STEM for the first time.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Photonic crystal enhancement of Raman scattering By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9630-9636DOI: 10.1039/D0CP00781A, PaperMatin Ashurov, Alexander Baranchikov, Sergey KlimonskyInverse opal films impregnated with a methylene blue dye were prepared by a template route. Photonic stop band governs amplitude of spontaneous Raman scattering peaks for metal-free photonic crystals, enhancement factor being over 50.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me What does carbon tolerant really mean? Operando vibrational studies of carbon accumulation on novel solid oxide fuel cell anodes prepared by infiltration By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9815-9823DOI: 10.1039/D0CP00195C, PaperMartha M. Welander, Daniel B. Drasbæk, Marie L. Traulsen, Bhaskar R. Sudireddy, Peter Holtappels, Robert A. WalkerIn operando studies of carbon formation on novel niobium doped SrTiO3 based SOFC anodes.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP00799D, PaperXiang-Meng Jia, Hu-Jun Qian, Zhong-Yuan LuWe study the interfacial structure and dynamics of a polymer nanocomposite (PNC) composed of octaaminophenyl polyhedral oligomeric silsesquioxane (OAPS) and poly(2-vinylpyridine) (P2VP) by performing full atomistic 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 Full Article
me CH2OO Criegee intermediate UV absorption cross-sections and kinetics of CH2OO + CH2OO and CH2OO + I as a function of pressure By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9448-9459DOI: 10.1039/D0CP00988A, PaperZara S. Mir, Thomas R. Lewis, Lavinia Onel, Mark A. Blitz, Paul W. Seakins, Daniel StoneThe UV absorption cross-sections of the Criegee intermediate CH2OO, and kinetics of the CH2OO self-reaction and the reaction of CH2OO with I are reported as a function of pressure at 298 K.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Selective host–guest chemistry, self-assembly and conformational preferences of m-xylene macrocycles probed by ion-mobility spectrometry mass spectrometry By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9290-9300DOI: 10.1039/C9CP06938K, PaperBenjamin A. Link, Ammon J. Sindt, Linda S. Shimizu, Thanh D. DoIon-mobility spectrometry mass spectrometry successfully captures selective host–guest chemistry of m-xylene macrocycles; notably, a tetrahedral, dimeric Zn complex.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Experimental observation of nanophase segregation in aqueous salt solutions around the predicted liquid–liquid transition in water By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9438-9447DOI: 10.1039/C9CP06082K, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Paul D. Lane, Judith Reichenbach, Andrew J. Farrell, Lennart A. I. Ramakers, Katrin Adamczyk, Neil T. Hunt, Klaas WynneUsing ultrafast spectroscopy to determine temperature-dependent structuring of water, solvation of ions and the size of phase segregated domains.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Effects of non-halogenated solvent on the main properties of a solution-processed polymeric thin film for photovoltaic applications: a computational study By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9693-9702DOI: 10.1039/D0CP01303J, PaperKarlisson Rodrigo de Almeida Sousa, Leandro Benatto, Luana Wouk, Lucimara Stolz Roman, Marlus KoehlerOur nano-scale simulations of polymeric films processed with different solvents reveal important details of morphological and electrical changes important for OPV applications.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Monolayer Bi2Se3−xTex: novel two-dimensional semiconductors with excellent stability and high electron mobility By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9685-9692DOI: 10.1039/D0CP00729C, PaperYifan Liu, Yuanfeng Xu, Yanju Ji, Hao ZhangThe bandgaps for monolayers Bi2Se3, Bi2Se2Te and Bi2SeTe2 decrease under moderate strains ranging from −4% to 10%, and the predicted electron mobilities are high, reaching 2708 cm2 V−1 s−1 for Bi2SeTe2.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9759-9766DOI: 10.1039/D0CP00389A, PaperChong Qiao, Y. R. Guo, Songyou Wang, Yu Jia, Cai-Zhuang Wang, Kai-Ming HoThe disordered clusters in Ge3Sb2Te6 change to ordered octahedrons by adjustment of the bond-angle relationship as the temperature decreases.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Interaction of imidazolium-based lipids with phospholipid bilayer membranes of different complexity By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9775-9788DOI: 10.1039/D0CP00801J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Steffen Bornemann, Marius Herzog, Lena Roling, Tiffany O. Paulisch, Dörte Brandis, Simon Kriegler, Hans-Joachim Galla, Frank Glorius, Roland WinterDepending on the chain length and headgroup structure, alkylated imidazolium salts affect the fluidity, lateral organization and morphology of lipid vesicles to various extents.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Internal electric fields in methanol [MeOH]2–6 clusters By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/C9CP04571F, PaperManjusha Boda, G. Naresh PatwariThe structure and energetics of methanol clusters not only depend on O–H⋯O but also on C–H⋯O hydrogen bonds to a significant extent.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 Full Article
me The application of the MM/GBSA method in the binding pose prediction of FGFR inhibitors By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9656-9663DOI: 10.1039/D0CP00831A, PaperYu Chen, Yongxiang Zheng, Pedro Fong, Shengjun Mao, Qiantao WangThe correct conformation had lower MM/GBSA binding free energy in longer MD simulations for each FGFR1 inhibitor.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Symmetry controlled photo-selection and charge separation in butadiyne-bridged donor–bridge–acceptor compounds By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9664-9676DOI: 10.1039/D0CP01235A, PaperXiao Li, Jesús Valdiviezo, Susannah D. Banziger, Peng Zhang, Tong Ren, David N. Beratan, Igor V. RubtsovElectron transfer (ET) in donor–bridge–acceptor (DBA) compounds featuring alkyne bridges depends strongly on the torsion angle between the donor and acceptor.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Molecular transport in ionic liquid/nanomembrane hybrids By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9808-9814DOI: 10.1039/D0CP01233E, PaperDaniil Naberezhnyi, Petr DementyevMolecular transport in ultrathin membranes changes upon surface functionalization.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Appraising spin-state energetics in transition metal complexes using double-hybrid models: accountability of SOS0-PBESCAN0-2(a) as a promising paradigm By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9388-9404DOI: 10.1039/D0CP00807A, PaperMojtaba Alipour, Tahereh IzadkhastThrough a comprehensive survey, reliable double-hybrid models have been validated and proposed for spin-state energetics in transition metal complexes.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Different submicellar solubilization mechanisms revealed by 1H NMR and 2D diffusion ordered spectroscopy (DOSY) By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP00429D, PaperMengjian Wu, Zhaoxia Wu, Shangwu Ding, Zhong Chen, Xiaohong CuiDifferent submicellar solubilization mechanisms of two systems, Triton X-100/tetradecane and sodium dodecyl sulfate (SDS)/butyl methacrylate, are revealed on the molecular scale by 1H NMR spectroscopy and 2D diffusion ordered spectroscopy (DOSY).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 Full Article
me Salt parameterization can drastically affect the results from classical atomistic simulations of water desalination by MoS2 nanopores By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP00484G, PaperJoão P. K. Abal, José Rafael Bordin, Marcia C. BarbosaIn this paper we show how distinct water and ion models affect the simulation of water purification using MoS2 nanopores.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 Full Article
me Multi-molar CO2 capture beyond the direct Lewis acid–base interaction mechanism By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01493A, PaperChenchen Li, Dongmei Lu, Chao WuCompeting with the Lewis acid-base reactions, proton transfer related interactions dominate the multi-molar CO2 capture in three typical multiple-site ILs. For ammonium-based ILs, the proton transfer process is feasible only with the help of CO2 molecule.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 Full Article
me Functionalization of two-dimensional 1T'-ReS2 with surface ligands for use as a photocatalyst in the hydrogen evolution reaction: a first-principles calculation study By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9415-9423DOI: 10.1039/D0CP01016B, PaperJing Pan, Wannian Zhang, Xiaoyong Xu, Jingguo HuSurface functionalization with polar ligands to tune band edges of two-dimensional 1T'-ReS2 and enhance its photocatalytic activity for hydrogen production.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Intra-octahedral distortion on lamellar potassium niobate K4Nb6O17: a periodic DFT study of structural, electronic and vibrational properties By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01581D, PaperJuliana Kelly D. Souza, Thiago M. Duarte, Iêda Maria Garcia dos Santos, Júlio Ricardo Sambrano, Ary da Silva Maia, Anderson dos Reis AlbuquerqueDFT calculation applied to K4Nb6O17 allowed to identify and correlate its electronic and vibrational properties with [NbO6] intraoctahedral distortion.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 Full Article
me Stabilisation of dianion dimers trapped inside cyanostar macrocycles By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01321H, PaperLuis Miguel Azofra, José Elguero, Ibon AlkortaDianion dimers trapped inside cyanostar macrocycles are supported by interanionic H-bonds, π–π stacking between confronted cyanostars, and an intricate network of multiple C(sp²)H⋯O H-bonds between the cyanostar and the anionic moieties.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 Full Article
me The water trimer reaction OH + (H2O)3 → (H2O)2OH + H2O By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9767-9774DOI: 10.1039/D0CP01418D, PaperAifang Gao, Guoliang Li, Bin Peng, Jared D. Weidman, Yaoming Xie, Henry F. SchaeferAll important stationary points on the potential energy surface (PES) for the reaction OH + (H2O)3 → (H2O)2OH + H2O have been fully optimized using the “gold standard” CCSD(T) method with the large Dunning correlation-consistent cc-pVQZ basis sets.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Identifying the role of excess electrons and holes for initiating the photocatalytic dissociation of methanol on a TiO2(110) surface By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP00332H, PaperFengdu Yu, Ziyu HuAs a prototype for the catalytic oxidation of organic contaminants, photocatalytic methanol dissociation on rutile TiO2(110) has drawn much attention, but its reaction mechanism remains elusive.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 Full Article
me Premelting of ice adsorbed on a rock surface By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/C9CP06836H, PaperV. Esteso, S. Carretero-Palacios, L. G. MacDowell, Johannes Fiedler, D. F. Parsons, F. Spallek, H. Míguez, C. Persson, Stefan Yoshi Buhmann, I. Brevik, M. BoströmConsidering ice-premelting on a quartz rock surface (i.e. silica) we calculate the Lifshitz excess pressures in a four layer system with rock–ice–water–air.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 Full Article
me The excited-state relaxation mechanism of potential UVA-activated phototherapeutic molecules: trajectory surface hopping simulations of both 4-thiothymine and 2,4-dithiothymine By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01450H, PaperJun Cao, Dong-chu ChenBoth molecules share energetically accessible crossing pathways, but have differences in atomic details during excited state relaxation.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 Full Article
me Comment on “Pressure enhancement in carbon nanopores: a major confinement effect” by Y. Long, J. C. Palmer, B. Coasne, M. Śliwinska-Bartkowiak and K. E. Gubbins, Phys. Chem. Chem. Phys., 2011, 13, 17163 By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9824-9825DOI: 10.1039/C9CP02890K, CommentDavid van DijkA standard thermodynamic interpretation unambiguously explains the observed properties of fluids confined in pores, while a “pressure enhancement” effect emerges only from calculations in which particular choices are selected from an arbitrary set.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Reply to the ‘Comment on “Pressure enhancement in carbon nanopores: a major confinement effect”’ by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22, DOI: 10.1039/C9CP02890K By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, 22,9826-9830DOI: 10.1039/C9CP04289J, CommentYun Long, Jeremy C. Palmer, Benoit Coasne, Kaihang Shi, Małgorzata Śliwińska-Bartkowiak, Keith E. GubbinsBy calculating the unique effective tangential pressure and discussing recent evidence from experiment and simulations, we show that the high pressure and strong compression in adsorbed layers for wetting systems on carbon are significant.The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Gas-phase Förster resonance energy transfer in mass-selected ions with methylene or peptide linkers between two dyes: a concerted dance of charges By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01287D, PaperChristina Kjær, Ying Zhao, Mark H. Stockett, Li Chen, Klavs Hansen, Steen Brøndsted NielsenEmission from gaseous rhodamine 640 is redshifted when the dye is tethered to rhodamine 575 due to internal Coulomb interaction.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 Full Article
me Template-induced Al distribution in MOR and enhanced activity in dimethyl ether carbonylation By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP00850H, PaperYing Li, Man Yu, Kai Cai, Meiyan Wang, Jing Lv, Russell F. Howe, Shouying Huang, Xinbin MaTemplate-induced Al distribution offers a strategy to improve the efficiency of DME carbonylation on H-MOR zeolite, which is a key step of ethanol production from syngas.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 Full Article
me C-H oxidation enhancement on gold nanoisland by atomic-undercoordination induced polarization By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01117G, PaperZezhou Lin, Hajime Hirao, Changqing Sun, Xi ZhangC–H activation is of great significance in chemical industry while the effective solvent-free catalyst is highly desired. This work shows that gold nanoisland which was inert in bulk is effective...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Model for gas-hydrate equilibrium in porous media that incorporates pore-wall properties By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01263G, PaperYali Zhang, Patricia Taboada-SerranoA model to predict the equilibrium conditions of gas-hydrates in porous media that incorporates sediment properties.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 Full Article
me Morphology–Transport Relationships for SBA-15 and KIT-6 Ordered Mesoporous Silicas By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01861A, PaperJanika Hochstrasser, Artur Svidrytski, Alexandra Höltzel, Tatiana Priamushko, Freddy Kleitz, Wu Wang, Christian Kuebel, Ulrich TallarekQuantitative morphology–transport relationships are derived for ordered mesoporous silicas through direct numerical simulation of hindered diffusion in realistic geometrical models of the pore space obtained from physical reconstruction by electron...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Synthesis and Photophysics of Gold(I) Alkynyls Bearing a Benzothiazole-2,7-Fluorenyl Moiety: A Comparative Study Analyzing Influence of Ancillary Ligand, Bridging Moiety, and Number of Metal Centers on Photophysical Properties By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01539C, PaperJoseph J Mihaly, Alexis Phillips, David J Stewart, Zachary M Marsh, Christopher McCleese, Joy E. Haley, Matthias Zeller, Tod Grusenmeyer, Thomas GrayThree new gold(I) alkynyl complexes (Au-ABTF(0-2)) containing a benzothiazole fluorenyl moiety, with either an organic phosphine or N-heterocyclic carbene as ancillary ligand, have been synthesized and photophysically characterized. All three...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Single-Particle Study: Effects of Oxygen Plasma Treatment on Structural and Spectral Changes in Anisotropic Gold Nanorods By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP00996B, CommunicationGeun Wan Kim, Ji Won HaOxygen plasma treatment is a common method for removing the surfactant capping material from gold nanoparticles, improving their functionalization and lowering their cytotoxicity for biological studies. This single-particle study investigates...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me UV photobleaching of carbon nanodots investigated by in situ optical methods By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP00952K, PaperA. V. Longo, A. Sciortino, M. Cannas, F. MessinaIn situ optical analysis of photobleaching unveils the real nature and evolution of emitters in a carbon-dot system.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 Full Article
me Active stereo-control of the Cl + CH4(ν3 = 1) reaction: a three-dimensional perspective By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01502D, PaperHuilin Pan, Kopin LiuReactivity dependency on the collisional geometry in a reaction with a spherical-top reactant.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 Full Article
me Introducing mesoscopic charge transfer rates into molecular electronics By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Advance ArticleDOI: 10.1039/D0CP01621G, CommunicationAdriano Santos, Ushula M. Tefashe, Richard L. McCreery, Paulo R. BuenoIt has been demonstrated that the concept of mesoscopic rate is able to establish a bridge between electrochemical and molecular electronic concepts.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 Full Article
me Fullerene-Based 0D Ferroelectrics/Multiferroics for Ultrahigh-Density and Ultrafast Nonvolatile Memories By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01797C, PaperTingting Zhong, Menghao WuRecently, the existence of room-temperature ferroelectricity has been experimentally confirmed in a number of two-dimensional (2D) materials. With switching barrier large enough against thermal fluctuation, ferroelectricity in even lower dimension...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Metal–organic framework-based nanomaterials for photocatalytic hydrogen peroxide production By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01759K, PerspectiveXiaolang Chen , Yoshifumi Kondo Kondo, Yasutaka Kuwahara, Kohsuke Mori, Catherine Louis, Hiromi YamashitaAs an environmentally friendly and renewable energy, hydrogen peroxide (H2O2) could be produced photocatalytically through selective two-electron reduction of O2 using effective photocatalysts. Metal organic frameworks (MOFs), as hybrid porous...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Irreproducibility in the triboelectric charging of insulators: evidence of a non-monotonic charge versus contact time relationship By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01317J, PaperJinyang Zhang, Chao Su, Fergus Rogers, N Darwish, Michelle Coote, Simone CiampiHere, we investigate the development and relaxation of static charges on the surface of plastic materials that are first brought in contact, and then macroscopically separated. Experimentalists dealing with the...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me The mechanism and ligand effects of single atom rhodium supported on ZSM-5 for the selective oxidation of methane to methanol By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01284J, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Rhys Bunting, Jillian M. Thompson, Peijun HuThe mechanism for the partial oxidation of methane to methanol on single atom rhodium supported on ZSM-5 is investigated by DFT. The most favoured mechanism for methane activation is shown...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me UV-visible absorption spectrum of FAD and its reduced forms embedded in cryptochrome protein By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01714K, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Karno Schwinn, Nicolas Ferré, Miquel Huix-RotllantCryptochromes are a type of flavoproteins proposed as candidates to explain magnetoreception of animals, plants and bacteria. The main hypothesis is that a biradical is formed upon blue-light absorption by...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me The interaction of two-dimensional α- and β-phosphorus carbide with environmental molecules: a DFT study By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01607A, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Andrey Kistanov, Elena Korznikova, Marko Huttula, Wei CaoThe recently fabricated two-dimensional phosphorus carbide (PC) has been proposed for application in different nanodevices such as nanoantennas and field-effect transistors. However, the effect of ambient molecules on the properties...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Low–temperature water–gas shift reaction catalyzed by hybrid NiO@NiCr–layered double hydroxides: catalytic property, kinetics and mechanism investigation By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01242D, PaperShengjie Xia, Tiantian Dai, Yue Meng, Xiaobo Zhou, Guoxiang Pan, Xueqiang Zhang, Zheming NiThe realization of high efficiency water gas shift reaction (WGSR) at low temperature has always been a research hotspot and difficulty. Based on NiCr layered double hydroxides (NiCr–LDHs), a kind...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Influence of alkaline-earth metal substitution on structure, electrical conductivity and oxygen transport properties of perovskite-type oxides La0.6A0.4FeO3-δ (A = Ca, Sr and Ba) By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP00247J, Paper Open Access   This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Jia Song, De Ning, Henny J M BouwmeesterStructural evolution, electrical conductivity, oxygen nonstoichiometry and oxygen transport properties of perovskite-type oxides La0.6A0.4FeO3-δ (A = Ca, Sr, and Ba) were investigated. La0.6Ca0.4FeO3-δ (LCF64) and La0.6Sr0.4FeO3-δ (LSF64) show a phase...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article
me Tuning the melting point of selected ionic liquids through adjustment of the cation’s dipole moment. By feeds.rsc.org Published On :: Phys. Chem. Chem. Phys., 2020, Accepted ManuscriptDOI: 10.1039/D0CP01214A, PaperBrooks Rabideau, Mohammad Soltani, Rome A. Parker, Benjamin Siu, Edward Alan Salter, Andrzej Wierzbicki, Kevin Neal West, James H Davis, JrIn previous work with thermally robust salts [Cassity et al., PCCP, 2017, 19, 31560] it was noted that an increase in the dipole moment of the cation generally led to...The content of this RSS Feed (c) The Royal Society of Chemistry Full Article