Chemical binding in ternary chalcogenides AiBIIIC 2 VI

Lavrentiev, A. A.; Gabrel′yan, B. V.; Nikiforov, I. Ya.

doi:10.1007/bf02742000

Cited by 6 publications

(5 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It was reported from other calculation techniques that the upper part of a valence band of AgInS 2 was composed of a d-state of Ag mixed with a p-state of S. , It is similar to the present result obtained by a plane-wave-based density functional calculation. Moreover, AgMO 3 (M = Nb and Ta) photocatalysts have stable valence bands consisting of Ag 4d orbitals .…”

Section: Resultssupporting

confidence: 92%

Photocatalytic H₂ Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)_xZn₂₍₁_-_x₎S₂ Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

et al. 2004

View full text Add to dashboard Cite

(AgIn)(x)Zn(2(1-x))S(2) solid solutions between ZnS photocatalyst with a wide band gap and AgInS(2) with a narrow band gap showed photocatalytic activities for H(2) evolution from aqueous solutions containing sacrificial reagents, SO(3)(2)(-) and S(2)(-), under visible-light irradiation (lambda >or= 420 nm) even without Pt cocatalysts. Loading of the Pt cocatalysts improved the photocatalytic activity. Pt (3 wt %)-loaded (AgIn)(0.22)Zn(1.56)S(2) with a 2.3 eV band gap showed the highest activity for H(2) evolution, and the apparent quantum yield at 420 nm amounted to 20%. H(2) gas evolved at a rate of 3.3 L m(-2) x h(-1) under irradiation using a solar simulator (AM 1.5). The diffuse reflection and the photoluminescence spectra of the solid solutions shifted monotonically to a long wavelength side as the ratio of AgInS(2) to ZnS increased in the solid solutions. The photocatalytic H(2) evolution depended on the compositions as well as the photophysical properties. The dependence of the photophysical and photocatalytic properties upon the composition was mainly due to the change in the band position caused by the contribution of the Ag 4d and In 5s5p orbitals to the valence and conduction bands, respectively. It was found from SEM and TEM observations that the solid solutions partially had nanostep structures on their surfaces. The Pt cocatalysts were selectively photodeposited on the edge of the surface nanosteps. It was suggested that the specific surface nanostructure was effective for the suppression of recombination between photogenerated electrons and holes and for the separation of H(2) evolution sites from oxidation reaction sites.

show abstract

Section: Resultssupporting

confidence: 92%

Photocatalytic H₂ Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)_xZn₂₍₁_-_x₎S₂ Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

et al. 2004

View full text Add to dashboard Cite

show abstract

“…was the same as that in the experimental values estimated from the diffuse reflection spectra, although the calculated band gap of CuInS 2 was extremely smaller than the experimental value. It was also reported from other calculation techniques that the upper part of a valence band of CuInS 2 was composed of a d-state of Cu mixed with a p-state of S 11,12. These results were in good agreement with our results obtained by the plane-wave-based method.The results of the photophysical properties and DFT calculations led us to the band structure of the (CuIn) x Zn 2(1-x) S 2 solid solution between ZnS and CuInS 2 as shown in Figure6.…”

supporting

confidence: 92%

“…It has been reported from some calculation techniques that the upper parts of valence bands of the I−III−VI 2 group (I = Cu, Ag; III = Al, Ga, In; VI = S, Se, Te) are composed of a d-state of Ag or Cu mixed with a p-state of S. , It has also been reported that the valence band level of CuInS 2 was more negative than those of ZnS and CdS . A Cu 3d orbital in a Cu 2 O semiconductor photoelectrode also contributes to the valence band formation. − Therefore, the monovalent copper cation is attractive as the component contributing to a visible-light response of solid solutions as well as the monovalent silver cation.…”

Section: Introductionmentioning

confidence: 99%

Photocatalytic H₂ Evolution under Visible-Light Irradiation over Band-Structure-Controlled (CuIn)_xZn₂₍₁_-_x₎S₂ Solid Solutions

et al. 2005

View full text Add to dashboard Cite

(CuIn)(x)Zn2(1-x)S2 solid solutions between a ZnS photocatalyst with a wide band gap and CuInS(2) with a narrow band gap showed photocatalytic activities for H(2) evolution from aqueous solutions containing sacrificial reagents SO(3)(2-) and S(2-) under visible-light irradiation (lambda >/= 420 nm). Pt (0.5 wt %)-loaded (CuIn)(0.09)Zn(1.82)S(2) with a 2.3-eV band gap showed the highest activity for H(2) evolution, and the apparent quantum yield at 420 nm amounted to 12.5%. H(2) evolved at a rate of 1.5 L h(-1) m(-2) under irradiation with a solar simulator (AM 1.5). Diffuse reflection and photoluminescence spectra of the solid solutions shifted monotonically to a long wavelength side, as the ratio of CuInS(2) to ZnS increased in the solid solutions. The photocatalytic H(2) evolution depended on the composition as well as the photophysical properties. DFT calculations suggested that the visible-light response should be derived from the contribution of Cu 3d and S 3p orbitals to the valence band and that of In 5s5p and Zn 4s4p orbitals to the conduction band, respectively. The contribution of these orbitals to the energy bands affected the photophysical and photocatalytic properties.

show abstract

“…185 Ternary chalcogenide SCs of the group I-III-VI (I = Cu, Ag; III = Al, Ga, In; VI = S, Se, Te) have received increasing attention as a new class of materials in the field of solar cells and also for solar driven H2 production (water splitting). 186 In ternary sulfide SCs including AgInS2 or CuInS2, the VB is composed of d-states of Ag or Cu assorted with p-states of sulfur, 187,188 resulting in a VB far more negative to that of ZnS or CdS.…”

Section: Solid Solutions Via Continuous Modulation Of Both Cb and Vbmentioning

confidence: 99%

Nanostructured materials for photocatalysis

et al. 2019

View full text Add to dashboard Cite

show abstract

Chemical binding in ternary chalcogenides AiBIIIC 2 VI

Cited by 6 publications

References 18 publications

Photocatalytic H₂ Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)_xZn₂₍₁_-_x₎S₂ Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

Photocatalytic H₂ Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)_xZn₂₍₁_-_x₎S₂ Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

Photocatalytic H₂ Evolution under Visible-Light Irradiation over Band-Structure-Controlled (CuIn)_xZn₂₍₁_-_x₎S₂ Solid Solutions

Nanostructured materials for photocatalysis

Contact Info

Product

Resources

About

Chemical binding in ternary chalcogenides AiBIIIC 2 VI

Cited by 6 publications

References 18 publications

Photocatalytic H2 Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)xZn2(1-x)S2 Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

Photocatalytic H2 Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)xZn2(1-x)S2 Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

Photocatalytic H2 Evolution under Visible-Light Irradiation over Band-Structure-Controlled (CuIn)xZn2(1-x)S2 Solid Solutions

Nanostructured materials for photocatalysis

Contact Info

Product

Resources

About

Photocatalytic H₂ Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)_xZn₂₍₁_-_x₎S₂ Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

Photocatalytic H₂ Evolution Reaction from Aqueous Solutions over Band Structure-Controlled (AgIn)_xZn₂₍₁_-_x₎S₂ Solid Solution Photocatalysts with Visible-Light Response and Their Surface Nanostructures

Photocatalytic H₂ Evolution under Visible-Light Irradiation over Band-Structure-Controlled (CuIn)_xZn₂₍₁_-_x₎S₂ Solid Solutions