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https://www.readbyqxmd.com/read/28731734/determining-potentials-of-zero-charge-of-metal-electrodes-versus-the-standard-hydrogen-electrode-from-density-functional-theory-based-molecular-dynamics
#1
Jiabo Le, Marcella Iannuzzi, Angel Cuesta, Jun Cheng
We develop a computationally efficient scheme to determine the potentials of zero charge (PZC) of metal-water interfaces with respect to the standard hydrogen electrode. We calculate the PZC of Pt(111), Au(111), Pd(111) and Ag(111) at a good accuracy using this scheme. Moreover, we find that the interface dipole potentials are almost entirely caused by charge transfer from water to the surfaces, the magnitude of which depends on the bonding strength between water and the metals, while water orientation hardly contributes at the PZC conditions...
July 7, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28731678/stable-and-efficient-cuo-based-photocathode-through-oxygen-rich-composition-and-au-pd-nanostructure-incorporation-for-solar-hydrogen-production
#2
Saeid Masudy-Panah, Roozbeh Siavash Moakhar, Chin Sheng Chua, Ajay Kumar Kushwaha, Goutam Kumar Dalapati
Enhancing stability against photo-corrosion and improving photocurrent response are the main challenges toward the development of cupric oxide (CuO) based photocathodes for solar-driven hydrogen production. In this paper, stable and efficient CuO-photocathodes have been developed using in-situ materials engineering and through gold-palladium (Au-Pd) nanoparticles deposition on the CuO surface. The CuO photocathode exhibits a photocurrent generation of ~3 mA/cm2 at 0V v/s RHE. Time-of-flight secondary ion mass spectrometry (TOF-SIMS) analysis and X-ray spectroscopy (XPS) confirm the formation of oxygen-rich (O-rich) CuO film which demonstrate highly stable photocathode with retained photocurrent of ~90% for 20 minutes...
July 21, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28728113/catalase-based-hydrogen-peroxide-biosensor-for-mercury-determination-by-inhibition-measurements
#3
Basant Elsebai, Mariana Emilia Ghica, Mohammed Nooredeen Abbas, Christopher M A Brett
A new amperometric hydrogen peroxide enzyme inhibition biosensor for the indirect determination of toxic mercury ions, Hg(2+), based on catalase immobilized on a glassy carbon electrode surface by cross-linking with glutaraldehyde and bovine serum albumin, is reported. The parameters influencing biosensor performance were optimized, including enzyme loading, the amount of hydrogen peroxide, the applied potential and electrolyte pH. It was shown that the inhibition of catalase by Hg(2+) species is irreversible, with a linear inhibition response between 5×10(-11) and 5×10(-10)M...
July 11, 2017: Journal of Hazardous Materials
https://www.readbyqxmd.com/read/28728106/multipotent-ache-and-bace-1-inhibitors-for-the-treatment-of-alzheimer-s-disease-design-synthesis-and-bio-analysis-of-7-amino-1-4-dihydro-2h-isoquilin-3-one-derivates
#4
Xiong-Jie Zhao, Da-Min Gong, Yu-Ren Jiang, Dong Guo, Yao Zhu, You-Chao Deng
In this paper, the preparation of a new class of multi-target-directed ligands (MTDLs) based on a 7-amino-1,4-dihydro-2H-isoquilin-3-one, whose lead (compound I) showed promising properties in acetylcholinesterase (AChE) inhibitory activity [1], is described. The results of in vitro activities and molecular docking demonstrated that the target molecule (compounds 10a-n) with three parts of aromatic moieties and appropriate structural length can interact with aromatic residues in catalytic active site (CAS), peripheral anionic site (PAS) and the channel of AChE...
July 5, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28727236/structural-and-electronic-flexibility-in-hydrides-of-zintl-phases-with-tetrel-hydrogen-and-tetrel-tetrel-bonds
#5
Henry Auer, Holger Kohlmann
The hydrogenation of Zintl phases enables the formation of new structural entities with main group element-hydrogen bonds in the solid state. The hydrogenation of SrSi, BaSi and BaGe yields the hydrides SrSiH5/3-x, BaSiH5/3-x and BaGeH5/3-x, whose crystal structures were solved by a combination of X-ray, neutron and electron diffraction. Layers of connected HSr4 (HBa4) tetrahedra containing hydride ions alternate with layers of infinite single- and double-chain polyanions, where hydrogen atoms are covalently bound to silicon and germanium...
July 20, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28726894/photocatalytic-hydrogenation-of-furan-to-tetrahydrofuran-in-alcoholic-suspensions-of-metal-loaded-titanium-iv-oxide-without-addition-of-hydrogen-gas
#6
Kousuke Nakanishi, Atsuhiro Tanaka, Keiji Hashimoto, Hiroshi Kominami
The use of metal co-catalysts broadens the application of photocatalytic reduction without the use of dihydrogen (H2) gas. We examined photocatalytic hydrogenation of furan, a representative heterocyclic compound and a compound derived from biomass, in alcoholic suspensions of metal-loaded titanium(iv) oxide (TiO2) under a H2-free condition and we found that furan was almost quantitatively hydrogenated to tetrahydrofuran with a high apparent quantum efficiency of 37% at 360 nm when palladium was used as a co-catalyst...
July 20, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28726715/overexpression-of-the-osimp-gene-increases-the-accumulation-of-inositol-and-confers-enhanced-cold-tolerance-in-tobacco-through-modulation-of-the-antioxidant-enzymes-activities
#7
Rong-Xiang Zhang, Li-Jun Qin, De-Gang Zhao
Inositol is a cyclic polyol that is involved in various physiological processes, including signal transduction and stress adaptation in plants. l-myo-inositol monophosphatase (IMPase) is one of the metal-dependent phosphatase family members and catalyzes the last reaction step of biosynthesis of inositol. Although increased IMPase activity induced by abiotic stress has been reported in chickpea plants, the role and regulation of the IMP gene in rice (Oryza sativa L.) remains poorly understood. In the present work, we obtained a full-length cDNA sequence coding IMPase in the cold tolerant rice landraces in Gaogonggui, which is named as OsIMP...
July 20, 2017: Genes
https://www.readbyqxmd.com/read/28726385/low-temperature-post-functionalization-of-highly-conductive-oxide-thin-films-toward-solution-based-large-scale-electronics
#8
Seok-Gyu Ban, Kyung-Tae Kim, Byung Doo Choi, Jeong-Wan Jo, Yong-Hoon Kim, Antonio Facchetti, Myung-Gil Kim, Sung Kyu Park
Although transparent conducting oxides (TCOs) have played a key role in a wide range of solid-state electronics from conventional optoelectronics to emerging electronic systems, the processing temperature and conductivity of solution-processed materials seem to be far exceeding the thermal limitations of soft materials and insufficient for high-perfomance large-area systems, respectively. Here, we report a strategy to form highly conductive and scalable solution-processed oxide materials and their successful translation into large-area electronic applications, which is enabled by photo-assisted post-functionalization at low-temperature...
July 20, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28726380/assessment-of-the-stability-and-operability-of-cobalt-phosphide-electrocatalyst-for-hydrogen-evolution
#9
Hyun S Ahn, Allen J Bard
Transition metal phosphides have been investigated heavily as hydrogen evolution reaction (HER) catalysts. One of the most active transition metal phosphides, CoP, has been tested for its stability and operability under mild conditions that it may be exposed to in its applications (photoelectrochemistry and artificial photosynthesis). Surface-interrogation scanning electrochemical microscopy (SI-SECM) revealed that CoP HER catalyst is vulnerable to oxidation (by oxygen and chemical oxidants). The degradation mechanism was shown to be surface oxidation by dioxygen, followed by acid etching of the oxidized layer...
July 20, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28726372/influence-of-relativistic-effects-on-assembled-structures-of-v-shaped-bispyridine-molecules-on-m-111-surfaces-where-m-cu-ag-au
#10
Xue Zhang, Na Li, Hao Wang, Chenyang Yuan, Gaochen Gu, Yajie Zhang, Damian Nieckarz, Paweł Szabelski, Shimin Hou, Boon K Teo, Yongfeng Wang
The self-assembly behavior of a V-shaped bispyridine, 1,3-bi(4-pyridyl)benzene (BPyB), was studied by scanning tunneling microscopy on the (111) surfaces of Cu, Ag, and Au. BPyB molecules coordinately bonded with active Cu adatoms on Cu(111) in the form of complete polygonal rings at low coverages. On Ag(111), BPyB molecules aggregated into two-dimensional islands by relatively weak intermolecular hydrogen bonds. The coexistence of hydrogen bonds and coordination interaction was observed on the BPyB-covered Au(111) substrate...
July 21, 2017: ACS Nano
https://www.readbyqxmd.com/read/28725895/co-doped-zn1-xcdxs-nanocrystals-from-metal-organic-framework-precursors-porous-microstructure-and-efficient-photocatalytic-hydrogen-evolution
#11
Xiu Tang, Jia-Hui Zhao, Yu-Han Li, Zi-Ji Zhou, Kui Li, Fu-Tian Liu, Ya-Qian Lan
Nanoporous Co-doped Zn1-xCdxS were facilely fabricated via adopting ZIFs as templates, and Cd(NO3)2 and thiourea as precursors. The highly porous microstructure and uniform Co-doping of the photocatalyst afford a high H2-production rate (45.2 and 422.2 times larger than those of Zn0.5Cd0.5S and CdS), providing an effective way for the development of high performance nanoporous photocatalysts.
July 20, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28723093/plasmonic-aerogels-as-a-3d-nanoscale-platform-for-solar-fuels-photocatalysis
#12
Paul A DeSario, Jeremy J Pietron, Adam Dunkelberger, Todd H Brintlinger, Olga Baturina, Rhonda M Stroud, Jeffrey C Owrutsky, Debra R Rolison
We use plasmonic Au-TiO2 aerogels as a platform in which to marry synthetically thickened particle-particle junctions in TiO2 aerogel networks and Au||TiO2 interfaces and then investigate their cooperative influence on photocatalytic hydrogen (H2) generation under both broadband (i.e., UV + visible light) and visible-only excitation. In doing so, we elucidate the dual functions that incorporated Au can play as a water reduction/H2 generation co-catalyst and as a plasmonic sensitizer. We also introduce non-plasmonic Pt co-catalyst nanoparticles into our composite aerogels in order to leverage the catalytic water-reducing abilities of Pt...
July 19, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28722402/layered-noble-metal-dichalcogenides-tailoring-electrochemical-and-catalytic-properties
#13
Xinyi Chia, Zdeněk Sofer, Jan Luxa, Martin Pumera
Owing to the anisotropic nature, layered transition metal dichalcogenides (TMDs) have captured tremendous attention for their promising uses in a plethora of applications. Currently, bulk of the research is centered on Group 6 TMDs. Layered noble metal dichalcogenides, in particular the noble metal tellurides, belong to a subset of Group 10 TMDs, wherein the transition metal is a noble metal of either palladium or platinum. We address here a lack of contemporary knowledge on these compounds by providing a comprehensive study on the electrochemistry of layered noble metal tellurides, PdTe2 and PtTe2, and their efficiency as electrocatalysts toward the hydrogen evolution reaction (HER)...
July 19, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28721735/dynamic-color-displays-using-stepwise-cavity-resonators
#14
Yiqin Chen, Xiaoyang Duan, Marcus Matuschek, Yanming Zhou, Frank Neubrech, Huigao Duan, Na Liu
High-resolution multicolor printing based on pixelated optical nanostructures is of great importance for promoting advances in color display science. So far, most of the work in this field has been focused on achieving static colors, limiting many potential applications. This inevitably calls for the development of dynamic color displays with advanced and innovative functionalities. In this Letter, we demonstrate a novel dynamic color printing scheme using magnesium-based pixelated Fabry-Pérot cavities by grey-scale nanolithography...
July 19, 2017: Nano Letters
https://www.readbyqxmd.com/read/28718645/fourfold-interpenetrated-mof-ni-pybz-2-as-coating-material-in-gas-chromatographic-capillary-column-for-separation
#15
Yan Zhang, Li Wang, Ru-Xin Yao, Xian-Ming Zhang
A fourfold interpenetrated diamond-like topological metal-organic framework (MOF), Ni(pybz)2 [pybz = 4-(4-pyridyl)benzoate] was successfully synthesized and fully characterized. This MOF can serve as coating material in gas chromatographic capillary column for the separation of some low boiling point essential oils. The prepared columns have good recognition ability and excellent selectivity toward a series of organic compounds, including alcohols, aldehydes, ketones, carboxylic acid, ethers, ester, and amines...
July 18, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28718617/initial-reduction-of-co2-on-pd-ru-and-cu-doped-ceo2-111-surfaces-effects-of-surface-modification-on-catalytic-activity-and-selectivity
#16
Chen Guo, Shuxian Wei, Sainan Zhou, Tian Zhang, Zhaojie Wang, Siu Pang Ng, Xiaoqing Lu, Chi-Man Lawrence Wu, Wenyue Guo
Surface modification by metal doping is an effective treatment technique for improving surface properties for CO2 reduction. Herein, the effects of doped Pd, Ru, and Cu on the adsorption, activation, and reduction selectivity of CO2 on CeO2(111) were investigated by periodic density functional theory. The doped metals distorted the configuration of a perfect CeO2(111) by weakening the adjacent Ce-O bond strength, and Pd doping was beneficial for generating a highly active O vacancy. The analyses of adsorption energy, charge density difference, and density of states confirmed that the doped metals were conducive for enhancing CO2 adsorption, especially for Cu/CeO2(111)...
July 18, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28715878/substitutional-doping-for-aluminosilicate-mineral-and-superior-water-splitting-performance
#17
Yi Zhang, Liangjie Fu, Zhan Shu, Huaming Yang, Aidong Tang, Tao Jiang
Substitutional doping is a strategy in which atomic impurities are optionally added to a host material to promote its properties, while the geometric and electronic structure evolution of natural nanoclay mineral upon substitutional metal doping is still ambiguous. This paper first designed an efficient lanthanum (La) doping strategy for nanotubular clay (halloysite nanotube, HNT) through the dynamic equilibrium of a substitutional atom in the presence of saturated AlCl3 solution, and systematic characterization of the samples was performed...
December 2017: Nanoscale Research Letters
https://www.readbyqxmd.com/read/28715034/surface-chemistry-and-stability-of-metastable-corundum-type-in2o3
#18
Eva-Maria Köck, Michaela Kogler, Chen Zhuo, Lukas Schlicker, Maged F Bekheet, Andrew Doran, Aleksander Gurlo, Simon Penner
To account for the explanation of an eventual sensing and catalytic behavior of rhombohedral In2O3 (rh-In2O3) and the dependence of the metastability of the latter on gas atmospheres, in situ electrochemical impedance spectroscopic (EIS), Fourier-transform infrared spectroscopic (FT-IR), in situ X-ray diffraction and in situ thermogravimetric analyses in inert (helium) and reactive gases (hydrogen, carbon monoxide and carbon dioxide) have been conducted to link the gas-dependent electrical conductivity features and the surface chemical properties to its metastability towards cubic In2O3...
July 17, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28714982/dynamic-surface-self-reconstruction-is-the-key-of-highly-active-perovskite-nano-electrocatalysts-for-water-splitting
#19
Emiliana Fabbri, Maarten Nachtegaal, Tobias Binninger, Xi Cheng, Bae-Jung Kim, Julien Durst, Francesco Bozza, Thomas Graule, Robin Schäublin, Luke Wiles, Morgan Pertoso, Nemanja Danilovic, Katherine E Ayers, Thomas J Schmidt
The growing need to store increasing amounts of renewable energy has recently triggered substantial R&D efforts towards efficient and stable water electrolysis technologies. The oxygen evolution reaction (OER) occurring at the electrolyser anode is central to the development of a clean, reliable and emission-free hydrogen economy. The development of robust and highly active anode materials for OER is therefore a great challenge and has been the main focus of research. Among potential candidates, perovskites have emerged as promising OER electrocatalysts...
July 17, 2017: Nature Materials
https://www.readbyqxmd.com/read/28714663/harnessing-hot-electrons-from-near-ir-light-for-hydrogen-production-using-pt-end-capped-aunrs
#20
Nathalia Ortiz, Brandon Zoellner, Soung Joung Hong, Yue Ji, Tao Wang, Yang Liu, Paul A Maggard, Gufeng Wang
Gold nanorods show great potential in harvesting natural sun light and generating hot charge carriers that can be employed to produce electrical or chemical energies. We show that photochemical reduction of Pt(IV) to Pt metal mainly takes place at the ends of gold nanorods (AuNRs), suggesting photon-induced hot electrons are localized in a time-averaged manner at AuNR ends. To use these hot electrons efficiently, a novel synthetic method to selectively overgrow Pt at the ends of AuNRs has been developed. These Pt-end-capped AuNRs show relatively high activity for the production of hydrogen gas using artificial white light, natural sun light, and more importantly, near IR light at 976 nm...
July 17, 2017: ACS Applied Materials & Interfaces
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