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A novel quaternary solid solution photo-absorber material for photoelectrochemical hydrogen generation

05-Aug-2015 | Tiantian Hong; Zhifeng Liu; Weiguo Yan; Bo Wang; Xueqi Zhang; Junqi Liu; Junkai Wang; Jianhua Han, Chemical Communication, 2015

We report a novel quaternary solid solution (Ag–Cu–Sb–S or ACSS) serving as a photo-absorber material in the photoelectrochemical field for the first time, and ZnO/ACSS nanoarrays exhibited a photocurrent density of 4.45 mA cm−2. The research indicates that ZnO/ACSS composite structures have ...


Development of a cobinamide-based end-of-service-life indicator for detection of hydrogen cyanide gas

02-Aug-2015 | Author(s): Lee A. Greenawald, Jay L. Snyder, Nicole L. Fry, Michael J. Sailor, Gerry R. Boss, Harry O. F ..., Sensors and Actuators B: Chemical, 2015

Publication date: 31 December 2015 Source:Sensors and Actuators B: Chemical, Volume 221 Author(s): Lee A. Greenawald, Jay L. Snyder, Nicole L. Fry, Michael J. Sailor, Gerry R. Boss, Harry O. Finklea, Suzanne Bell We describe an inexpensive paper-based sensor for rapid ...


Polarizable Embedded RI-CC2 Method for Two-Photon Absorption Calculations

28-Jul-2015 | Dalibor Hršak; Alireza Marefat Khah; Ove Christiansen; Christof Hättig, Journal of Chemical Theory and Computation, 2015

We present a novel polarizable embedded resolution-of-identity coupled cluster singles and approximate doubles (PERI-CC2) method for calculation of two-photon absorption (TPA) spectra of large molecular systems. The method was benchmarked for three types of systems: a water-solvated molecule of ...


Temperature dependence of the rate constant for hydrogen atom reaction with Cl2−• in water by pulse radiolysis of aqueous HCl solution

27-Jul-2015 | Author(s): L. Kazmierczak, J. Szala-Bilnik, M. Wolszczak, D. Swiatla-Wojcik, Radiation Physics and Chemistry, 2015

Publication date: December 2015 Source:Radiation Physics and Chemistry, Volume 117 Author(s): L. Kazmierczak, J. Szala-Bilnik, M. Wolszczak, D. Swiatla-Wojcik The temperature dependence of the rate constant for the reaction of dichloride anion radical ( Cl 2 - • ) with ...


Nitro-Assisted Brønsted Acid Catalysis: Application to a Challenging Catalytic Azidation

27-Jul-2015 | Marian Dryzhakov; Malik Hellal; Eléna Wolf; Florian C. Falk; Joseph Moran, Journal of the American Chemical Society, 2015

A cocatalytic effect of nitro compounds is described for the B(C6F5)3·H2O catalyzed azidation of tertiary aliphatic alcohols, enabling catalyst turnover for the first time and with a broad range of substrates. Kinetic investigations into this surprising effect reveal that nitro compounds induce a ...


Probing the Protonation State and the Redox-Active Sites of Pendant Base Iron(II) and Zinc(II) Pyridinediimine Complexes

23-Jul-2015 | Mayra Delgado; Samantha K. Sommer; Seth P. Swanson; Robert F. Berger; Takele Seda; Lev N. Zakharov; John D. Gilbertson, Inorganic Chemistry, 2015

Utilizing the pyridinediimine ligand [(2,6-iPrC6H3)N═CMe)(N(iPr)2C2H4)N═CMe)C5H3N] (didpa), the zinc(II) and iron(II) complexes Zn(didpa)Cl2 (1), Fe(didpa)Cl2 (2), [Zn(Hdidpa)Cl2][PF6] (3), [Fe(Hdidpa)Cl2][PF6] (4), Zn(didpa)Br2 (5), and [Zn(Hdidpa)Br2][PF6] (6), Fe(didpa)(CO)2 (7), and ...


Copper Nanowires: A Substitute for Noble Metals to Enhance Photocatalytic H2 Generation

21-Jul-2015 | Shuning Xiao; Peijue Liu; Wei Zhu; Guisheng Li; Dieqing Zhang; Hexing Li, Nano Letters, 2015

Microwave-assisted hydrothermal approach was developed as a general strategy to decorate copper nanowires (CuNWs) with nanorods (NRs) or nanoparticles (NPs) of metal oxides, metal sulfides, and metal organic frameworks (MOFs). The microwave irradiation induced local “super hot” dots generated on ...


An Approach to More Accurate Model Systems for Purple Acid Phosphatases (PAPs)

21-Jul-2015 | Paul V. Bernhardt; Simone Bosch; Peter Comba; Lawrence R. Gahan; Graeme R. Hanson; Valeriu Mereacre; Christopher J. ..., Inorganic Chemistry, 2015

The active site of mammalian purple acid phosphatases (PAPs) have a dinuclear iron site in two accessible oxidation states (FeIII2 and FeIIIFeII), and the heterovalent is the active form, involved in the regulation of phosphate and phosphorylated metabolite levels in a wide range of organisms. ...


Ab Initio Liquid Water Dynamics in Aqueous TMAO Solution

20-Jul-2015 | Kota Usui; Johannes Hunger; Marialore Sulpizi; Tatsuhiko Ohto; Mischa Bonn; Yuki Nagata, Journal of Physical Chemistry B, 2015

Ab initio molecular dynamics (AIMD) simulations in trimethylamine N-oxide (TMAO)–D2O solution are employed to elucidate the effects of TMAO on the reorientational dynamics of D2O molecules. By decomposing the O–D groups of the D2O molecules into specific subensembles, we reveal that water ...


First-Principles Simulation Study of Vibrational Spectral Diffusion and Hydrogen Bond Fluctuations in Aqueous Solution of N-Methylacetamide

20-Jul-2015 | Vivek Kumar Yadav; Amalendu Chandra, Journal of Physical Chemistry B, 2015

We have presented a first-principles simulation study of the vibrational spectral diffusion and hydrogen bond dynamics in an aqueous solution of N-methylacetamide (NMA). We have studied the spectral diffusion of local OD stretch modes of deuterated water in the first hydration shells of the ...


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