Multinary metal chalcogenides with tetrahedral structures for second-order nonlinear optical, photocatalytic, and photovoltaic applications

Chen, Man-Man; Xue, Huaiguo; Guo, Sheng‐Ping

doi:10.1016/j.ccr.2018.04.014

Cited by 145 publications

(68 citation statements)

References 134 publications

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“…This can be realized by choosing asmaller supercell, for example, a' = 3a, b' = b, c' = c with a, b, c representing the basis vectors of the average cubic cell. By using this supercell, C 4 12 structure models are derived out by occupying the Ga sites in all possible ways.T he total energies of these models are calculated by using the high-throughput approach with the VA SP code [30,31] as the computational engine.Three structure models (Table S1) with space groups, C222 1 , P " 4a nd C222, respectively,a re selected among the 495 models through atomic coordinates and energy optimizations.T he closest energy difference between the chosen models and the weeded out models is approximately 0.032 eV/atom, which is already al ot, around 0.64 eV,f or a2 0-atom small unit cell. To avoid possible bias against cubic displacements of the ions due to the choice of the starting models,w eh ave also designed am odel with cubic symmetry,t hat is, a' = 3a, b' = 3b, c' = 3c with F23 space group,amaximal non-isomorphic subgroup of F " 43m the g phase (Table S1).…”

Section: Angewandte Chemiementioning

confidence: 99%

Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide

et al. 2019

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A big challenge for nonlinear optical (NLO) materials is the application in high power lasers, which needs the simultaneous occurrence of large second harmonic generation (SHG) and high laser induced damage threshold (LIDT). Herein we report the preparation of a new Ga2Se3 phase, which shows the SHG intensities of around 2.3 times and the LIDT of around 16.7 times those of AgGaS2 (AGS), respectively. In addition, its IR transparent window ca. 0.59–25 μm is also significantly wider than that of AGS (ca. 0.48–≈11.4 μm). The occurrence of the strong SHG responses and good phase‐matching indicate that the structure of the new Ga2Se3 phase can only be non‐centrosymmetric and have a lower symmetry than the cubic γ‐phase. The observed excellent SHG and phase‐matching properties are consistent with our diffraction experiments and can be well explained by using the orthorhombic models obtained through our high throughput simulations.

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Section: Angewandte Chemiementioning

confidence: 99%

Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide

et al. 2019

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“…In recent years, much attention has been drawn to the construction of ternary chalcogenide AB2X4 (A = Zn, Cd, Ca, Cu, Mg; B = In, Ga, Al; X = S, Se, Te) semiconductors as photocatalysts due to their tunable optical properties, unique electronic structure and suitable band gaps for various applications [222,[326][327][328][329][330][331]. Among these ternary metal sulfide materials, cubic CaIn2S4 has been widely employed to construct a heterojunction with g-C3N4 due to its excellent stability, well-matched band gap, and robust activity [218].…”

Section: Water Splitting For H2 Evolutionmentioning

confidence: 99%

Interfacial engineering of graphitic carbon nitride (g-C3N4)-based metal sulfide heterojunction photocatalysts for energy conversion: A review

Ren

Zeng

Ong

2019

Chinese Journal of Catalysis

438

150

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As one of the most appealing and attractive technologies, photocatalysis is widely used as a promising method to circumvent the environmental and energy problems. Due to its chemical stability and unique physicochemical, graphitic carbon nitride (g-C3N4) has become research hotspots in the community. However, g-C3N4 photocatalyst still suffers from many problems, resulting in unsatisfactory photocatalytic activity such as low specific surface area, high charge recombination and insufficient visible light utilization. Since 2009, g-C3N4-based heterostructures have attracted the attention of scientists worldwide for their greatly enhanced photocatalytic performance. Overall, this review summarizes the recent advances of g-C3N4-based nanocomposites modified with transition metal sulfide (TMS), including (1) preparation of pristine g-C3N4, (2) modification strategies of g-C3N4, (3) design principles of TMS-modified g-C3N4 heterostructured photocatalysts, and (4) applications in energy conversion. What is more, the characteristics and transfer mechanisms of each classification of the metal sulfide heterojunction system will be critically reviewed, spanning from the following categories: (1) Type I heterojunction, (2) Type II heterojunction, (3) p-n heterojunction, (4) Schottky junction and (5) Z-scheme heterojunction. Apart from that, the application of g-C3N4-based heterostructured photocatalysts in H2 evolution, CO2 reduction, N2 fixation and pollutant degradation will also be systematically presented. Last but not least, this review will conclude with invigorating perspectives, limitations and prospects for further advancing g-C3N4-based heterostructured photocatalysts toward practical benefits for a sustainable future.

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“…Second‐order nonlinear optical (NLO) crystalline materials are of fundamentally and technically very important for their ability to expand the frequency of lasers . The infrared (IR) region NLO crystals have been widely used in the lasers for example, for guidance, environmental monitoring, medical diagnostics and atmospheric laser communication . The wide application range of these crystals requires high figures of merit related to many important properties, such as large NLO coefficient, high laser induced damage threshold (LIDT), wide IR transparent window, moderate birefringence, and nice single‐crystal growth habit .…”

Section: Figurementioning

confidence: 99%

Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide

et al. 2019

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Multinary metal chalcogenides with tetrahedral structures for second-order nonlinear optical, photocatalytic, and photovoltaic applications

Cited by 145 publications

References 134 publications

Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide

Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide

Interfacial engineering of graphitic carbon nitride (g-C3N4)-based metal sulfide heterojunction photocatalysts for energy conversion: A review

Large Second Harmonic Generation (SHG) Effect and High Laser‐Induced Damage Threshold (LIDT) Observed Coexisting in Gallium Selenide

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