Structure and properties of thiocarbamide complexes of cadmium and zinc according to the results of a quantum-chemical calculation

Naumov, A. V.; Nechaev, I. V.; Samofalova, T. V.; Семенов, В. Н.

doi:10.1134/s107042721006008x

Cited by 5 publications

(1 citation statement)

References 2 publications

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“…According to the experiment, the mechanism for the formation of Zn 1– x Cd x S solid solution NPs is proposed. First, in the ultrasonication process (see the Experimental section), Zn 2+ and Cd 2+ bound to the S of thiourea to form the Zn–Cd–Tu complex due to the strong coordinating capacity of thiourea. − The formation of the Zn–Cd–Tu complex was evidenced by the XRD pattern (not shown here), which was not a simple stacking of those of the precursors (Tu, Zn(Ac) 2 ·2H 2 O and Cd(Ac) 2 ·2H 2 O). The obtained Zn–Cd–Tu complex molecules aggregated to form clusters, which provided the nucleating positions for the subsequent reactions between Zn 2+ , Cd 2+ , and S 2– .…”

Section: Results and Discussionmentioning

confidence: 95%

Zn_1–xCd_xS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H₂-Production Activity

et al. 2013

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Photocatalytic hydrogen (H 2 ) production from water splitting under visible-light irradiation is considered to be an attractive way to solve the increasing global energy crises in modern life. In this study, highly efficient photocatalytic H 2 production without the assistant of a cocatalyst was achieved using Zn1 1−x Cd x S solid solutions as the visible-light-driven photocatalysts and a mixed Na 2 S and Na 2 SO 3 aqueous solution as the sacrificial reagent. The Zn 1−x Cd x S samples were prepared by a simple zinc−cadmium− thiourea (Zn−Cd−Tu) complex thermolysis method using thiourea, zinc acetate (Zn(Ac) 2 ), and cadmium acetate (Cd(Ac) 2 ) as the precursors. The obtained Zn 1−x Cd x S solid solutions feature a small crystallite size and precisely controllable band structure, which are beneficial for the photocatalysis. When the Zn/Cd molar ratio is 1:1, the prepared Zn 0.5 Cd 0.5 S sample exhibits the highest H 2 -production rate of 7.42 mmol•h −1 •g −1 , exceeding that of the pure CdS and ZnS samples by more than 24 and 54 times, respectively, and even much higher than that of the optimal Pt-loaded CdS. This high photocatalytic H 2 -production activity is attributed predominantly to enough visible-light absorption capacity and suitable conduction band potential of the Zn 0.5 Cd 0.5 S solid solution, which is further evidenced from the related theory calculations on the band structures of the Zn 1−x Cd x S solid solutions. Moreover, the calculation on the Mulliken populations of Zn, Cd, and S atoms for the first time provides new insight into the deep understanding of the chemical shifts of element binding energies for the Zn 1−x Cd x S solid solutions and the designing of new ternary photocatalytic materials.

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Section: Results and Discussionmentioning

confidence: 95%

Zn_1–xCd_xS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H₂-Production Activity

et al. 2013

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Incorporation of N–ZnO/CdS/Graphene oxide composite photocatalyst for enhanced photocatalytic activity under visible light

Huo

Zhou

Tang

et al. 2016

Journal of Alloys and Compounds

120

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Atomically dispersed Ni in cadmium-zinc sulfide quantum dots for high-performance visible-light photocatalytic hydrogen production

Ran

Zhuang

et al. 2020

Sci. Adv.

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Catalysts with a single atom site allow highly tuning of the activity, stability, and reactivity of heterogeneous catalysts. Therefore, atomistic understanding of the pertinent mechanism is essential to simultaneously boost the intrinsic activity, site density, electron transport, and stability. Here, we report that atomically dispersed nickel (Ni) in zincblende cadmium–zinc sulfide quantum dots (ZCS QDs) delivers an efficient and durable photocatalytic performance for water splitting under sunlight. The finely tuned Ni atoms dispersed in ZCS QDs exhibit an ultrahigh photocatalytic H2 production activity of 18.87 mmol hour−1 g−1. It could be ascribed to the favorable surface engineering to achieve highly active sites of monovalent Ni(I) and the surface heterojunctions to reinforce the carrier separation owing to the suitable energy band structures, built-in electric field, and optimized surface H2 adsorption thermodynamics. This work demonstrates a synergistic regulation of the physicochemical properties of QDs for high-efficiency photocatalytic H2 production.

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Structure and properties of thiocarbamide complexes of cadmium and zinc according to the results of a quantum-chemical calculation

Cited by 5 publications

References 2 publications

Zn_1–xCd_xS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H₂-Production Activity

Zn_1–xCd_xS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H₂-Production Activity

Incorporation of N–ZnO/CdS/Graphene oxide composite photocatalyst for enhanced photocatalytic activity under visible light

Atomically dispersed Ni in cadmium-zinc sulfide quantum dots for high-performance visible-light photocatalytic hydrogen production

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Structure and properties of thiocarbamide complexes of cadmium and zinc according to the results of a quantum-chemical calculation

Cited by 5 publications

References 2 publications

Zn1–xCdxS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H2-Production Activity

Zn1–xCdxS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H2-Production Activity

Incorporation of N–ZnO/CdS/Graphene oxide composite photocatalyst for enhanced photocatalytic activity under visible light

Atomically dispersed Ni in cadmium-zinc sulfide quantum dots for high-performance visible-light photocatalytic hydrogen production

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Zn_1–xCd_xS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H₂-Production Activity

Zn_1–xCd_xS Solid Solutions with Controlled Bandgap and Enhanced Visible-Light Photocatalytic H₂-Production Activity