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Ab initio molecular dynamics simulation of aqueous solution of nitric oxide in different formal oxidation states

30-Aug-2015 | Author(s): Mateus F. Venâncio, Willian R. Rocha, Chemical Physics Letters, 2015

Publication date: 1 October 2015 Source:Chemical Physics Letters, Volume 638 Author(s): Mateus F. Venâncio, Willian R. Rocha Ab initio molecular dynamics simulations were used to investigate the early chemical events involved in the dynamics of nitric oxide (NO), nitrosonium cation ...


Electrocatalytic Oxygen Reduction Performance of Silver Nanoparticle Decorated Electrochemically Exfoliated Graphene

27-Aug-2015 | Joao Henrique Lopes; Siyu Ye; Jeff T. Gostick; Jake E. Barralet; Geraldine Merle, Langmuir, 2015

We have developed a potentiostatic double-pulse technique for silver nanoparticle (Ag NP) deposition on graphene (GRn) with superior electronic and ionic conductivity. This approach yielded a two-dimensional electrocatalyst with a homogeneous Ag NP spatial distribution having remarkable ...


Synthesis, spectral, optical and photocatalytic properties of vanadium- and carbon-doped titanium dioxide with three-dimensional architecture of aggregates

23-Aug-2015 | Author(s): I.V. Baklanova, V.N. Krasil’nikov, V.P. Zhukov, O.I. Gyrdasova, M.V. Kuznetsov, L.Yu. Buldako ..., Journal of Photochemistry and Photobiology A: Chemistry, 2015

Publication date: 1 January 2016 Source:Journal of Photochemistry and Photobiology A: Chemistry, Volume 314 Author(s): I.V. Baklanova, V.N. Krasil’nikov, V.P. Zhukov, O.I. Gyrdasova, M.V. Kuznetsov, L.Yu. Buldakova, M.Yu. Yanchenko Vanadium-doped and vanadium- and carbon-doped ...


Spectroscopic study of cystine adsorption on pyrite surface: From vacuum to solution conditions

23-Aug-2015 | Author(s): M. Sanchez-Arenillas, E. Mateo-Marti, Chemical Physics, 2015

Publication date: 8 September 2015 Source:Chemical Physics, Volume 458 Author(s): M. Sanchez-Arenillas, E. Mateo-Marti We characterized the adsorption of cystine molecules on pyrite surface via X-ray photoelectron spectroscopy. Anoxic conditions were simulated under ultra-high-vacuum ...


Electrochemical Synthesis of Binary and Ternary Niobium-Containing Oxide Electrodes Using the p-Benzoquinone/Hydroquinone Redox Couple

21-Aug-2015 | Christopher M. Papa; Anthony J. Cesnik; Taylor C. Evans; Kyoung-Shin Choi, Langmuir, 2015

New electrochemical synthesis methods have been developed to obtain layered potassium niobates, KNb3O8 and K4Nb6O17, and perovskite-type KNbO3 as film-type electrodes. The electrodes were synthesized from aqueous solutions using the redox chemistry of p-benzoquinone and hydroquinone to change the ...


Mixed-Metal Strategy on Metal–Organic Frameworks (MOFs) for Functionalities Expansion: Co Substitution Induces Aerobic Oxidation of Cyclohexene over Inactive Ni-MOF-74

19-Aug-2015 | Dengrong Sun; Fangxiang Sun; Xiaoyu Deng; Zhaohui Li, Inorganic Chemistry, 2015

Different amounts of Co-substituted Ni-MOF-74 have been prepared via a post-synthetic metal exchange. Inductively coupled plasma mass spectrometry, powder X-ray diffraction (XRD), N2 adsorption/desorption, and extended X-ray absorption fine structure (EXAFS) analyses indicated the successful ...


Visible‐Light‐Driven Oxidation of Organic Substrates with Dioxygen Mediated by a [Ru(bpy)3]2+/Laccase System

18-Aug-2015 | Ludovic Schneider, Yasmina Mekmouche, Pierre Rousselot‐Pailley, A. Jalila Simaan, Viviane Robert, Marius Réglier, Al ..., ChemSusChem, 2015

Abstract Oxidation reactions are highly important chemical transformations that still require harsh reaction conditions and stoichiometric amounts of chemical oxidants that are often toxic. To circumvent these issues, olefins oxidation is achieved in mild conditions upon irradiation of an ...


Stability and Conversion of Tin Zintl Anions in Liquid Ammonia Investigated by NMR Spectroscopy

18-Aug-2015 | Franziska Fendt , Carina Koch , Maria Neumeier , Stefanie Gärtner, Ruth M. Gschwind, Nikolaus Korber, Chemistry - A European Journal, 2015

Abstract Homoatomic polyanions of post‐transition main‐group metals, namely, Zintl anions, are precast in analogous Zintl phases and can react in solution to form new materials. Despite comprehensible reaction approaches, the formed products cannot be planned in advance, as hitherto undetected ...


Weak‐Acid Sites Catalyze the Hydrolysis of Crystalline Cellulose to Glucose in Water: Importance of Post‐Synthetic Functionalization of the Carbon Surface

14-Aug-2015 | Anh The To, Po‐Wen Chung, Alexander Katz, Angewandte Chemie International Edition, 2015

Abstract The direct hydrolysis of crystalline cellulose to glucose in water without prior pretreatment enables the transformation of biomass into fuels and chemicals. To understand which features of a solid catalyst are most important for this transformation, the nanoporous carbon material ...


Ligand π‐Radical Interaction with f‐Shell Unpaired Electrons in Phthalocyaninato–Lanthanoid Single‐Molecule Magnets: A Solution NMR Spectroscopic and DFT Study

13-Aug-2015 | Marko Damjanović, Takaumi Morita, Keiichi Katoh, Masahiro Yamashita, Markus Enders, Chemistry - A European Journal, 2015

Abstract The phthalocyaninato double‐decker complexes [M(obPc)2]0 (M= YIII, TbIII, DyIII; obPc=2,3,9,10,16,17,23,24‐octabutoxyphthalocyaninato), along with their reduced ([M(obPc)2]−[P(Ph)4]+; M=TbIII, DyIII) and oxidized ([M(obPc)2]+[SbCl6]− (M=YIII, TbIII) counterparts were studied with 1H, ...


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