Nano-Ni-Induced Electronic Modulation of MoS_(2) Nanosheets Enables Energy-Saving H_(2) Production and Sulfide Degradation

Electrocatalytic hydrogen evolution and sulfion(S^(2-))recycling are promising strategies for boosting H_(2)production and removing environmental pollutants.Here,a nano-Ni-functionalized molybdenum disulfide(MoS_(2))nanosheet was assembled on steel mesh(Ni-MoS_(2)/SM)for use in sulfide oxidation reaction-assisted,energy-saving H_(2)production.Experimental and theoretical calculation results revealed that anchoring nano-Ni on high-surface-area slack MoS_(2)nanosheets not only optimized catalyst adsorption of polysulfides but also played an important role in promoting hydrogen evolution reaction kinetics by absorbing OH_(ad),thereby greatly enhancing the catalytic performance toward sulfide oxidation reaction and hydrogen evolution reaction.Meanwhile,the Ni/MoS^(2-)based hydrogen evolution reaction+sulfide oxidation reaction system achieved nearly 100%hydrogen production efficiency and only consumed 61%less power per kWh than the oxygen evolution reaction+hydrogen evolution reaction system,which suggested our proposed Ni-MoS_(2)and novel hydrogen production system are promising for sustainable energy production.

Theoretical Study on the Dehydrogenation Reaction of H_2S by VS^+ (~3Σ^-)

The dehydrogenation reaction of H2S by the ^3Σ^- ground state of VS^＋： VS^＋ ＋ H2S → VS2^＋ ＋ H2 has been studied by using Density Functional Theory （DPT） at the B3LYP/DZVP level. It is found that the reaction proceeds along two possible pathways （A and B） yielding two isomer dehydrogenation products VS2^＋-1 （^3B2） and VS2^＋-2 （^3A1）, respectively. For both pathways, the reaction has a two-step-reaction mechanism that involves the migration of two hydrogen atoms from S2 to V^＋, respectively. The migration of the second hydrogen via TS3 and that of the first via TS4 are the rate-determining steps for pathways A and B, respectively. The activation energy is 17.4 kcal/mol for pathway A and 22.8 kcal/mol for pathway B relative to the reactants. The calculated reaction heat of 9.9 kcal/mol indicates the endothermicity of pathway A and that of -11.9 kcal/mol suggests the exothermicity of pathway B.

Synthesis and Crystal Structure of a New Quaternary Sulfide FeSm6Si2S14

One new quaternary rare-earth sulfide, FeSm6Si2S（14）, has been synthesized by a facile solid-state route with boron as the reducing reagent. It crystallizes in the noncentrosymmetric hexagonal space group P63, belonging to the Ce6Al（3.33）S（14） structure-type, and the AxRE3MQ7 family. Its crystal structure features a 3-D framework constructed by SmS 8 bicapped trigonal prisms, where Fe and Si atoms occupy the octahedral（2a） and tetrahedral（2c） voids, respectively. The FeS 6 octahedra are connected with each other to form a chain along the b direction. FeSm6Si2S（14） represents a new chemical composition among the large family of AxRE3MQ7 compounds. The other related compounds containing transition metal are also discussed.

Synthesis,Crystal Structure,Physical Properties and Theoretical Studies of the New Ternary Sulfide with Closed Cavities:CsYb_7S_(11)

A novel ternary rare-earth sulfide, CsYb7S（11）, has been successfully synthesized by high-temperature solid-state reaction of an elemental mixture with modified Cs Cl flux. The single-crystal X-ray diffraction data reveal its orthorhombic symmetry in space group Cmca（no. 64） with a = 15.271（3）, b = 13.414（2）, c = 18.869（3） A°, V = 3865.2（2） A°^3, Z = 8, Mr = 1696.85, Dc = 5.832 g/cm^3, μ = 36.538 mm^-1, F（000） = 5768, the final R = 0.0225 and w R = 0.0517 for 2258 observed reflections with I 〉 2σ（I）, 2.67〈θ〈27.48o, w = 1/[σ^2（Fo^2） ＋（0.0443 P）2 ＋ 8.7453 P], where P =（Fo^2 ＋ 2Fc^2）/3, S = 1.036,（Δρ）max = 1.609 and（Δρ）min = –1.922. The remarkable structural feature is the dual tricapped Cs2@S18 cube closed cavities far apart within the three-dimensional [Yb7S（11）]-covalent bonding matrix. Magnetic susceptibility measurements show that the title compound exhibits temperature-dependent（50～300 K） para-magnetism and obey the Curie-Weiss law. Moreover, the optical gap of 2.03 Ev for CsYb7S11 was deduced from the UV/Vis reflectance spectroscopy and DFT study indicates an indirect band gap with an electronic transfer excitation of S-3p to Yb-5d orbital.

Electrochemical and spectroscopic study of interfacial interactions between chalcopyrite and typical flotation process reagents

Comparative voltammetry and differential double-layer capacitance studies were performed to evaluate interfacial interactions between cnalcopyrite（CuFeS2） and n-isopropyl xanthate（X） in the presence of ammonium bisulfite/39wt%SO2 and caustic starch at different pH values.Raman spectroscopy,Fourier transform infrared（FTIR） spectroscopy,contact angle measurements,and microflotation tests were used to establish the type and extent of xanthate adsorption as well as the species involved under different mineral surface conditions in this study.The results demonstrate that the species that favor a greater hydrophobicity of chalcopyrite are primarily CuX and S^0,whereas oxides and hydroxides of Cu and Fe as well as an excess of starch decrease the hydrophobicity.A conditioning of the mineral surface with ammonium bisulfite/39wt%SO2 at pH 6 promotes the activation of surface and enhances the xanthate adsorption.However,this effect is diminished at pH ≥ 8,when an excess of starch is added during the preconditioning step.