Synthesis and study of structural, optical, and electrical properties of nontoxic and earth-abundant Na2ZnSnS4 material

Bousselmi, G.; Khémiri, N.; Benali, A.; Graça, M.P.F.; Santos, Rui M; Costa, B. F. O.; Kanzari, M.

doi:10.1007/s10854-020-04424-1

Cited by 6 publications

(1 citation statement)

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“…[3] Formally, a total substitution of Cu by Na has just been achieved recently. [4] Not much literature is yet known about Na 2 ZnSnS 4 , but, however, according to the published articles [4,5] on synthesis, crystal structure, and properties of Na 2 ZnSnS 4 , it seems to crystallize in a chalcopyrite-derived crystal structure with an ordered arrangement of the cations [4] or the stannitetype structure, [5] both tetragonal, corresponding to Cu 2 ZnSnS 4 [6] and Cu 2 FeSnS 4 , [7] respectively. Both articles are primarily focused on the material properties of Na 2 ZnSnS 4 such as optical, electronic, and electrical ones.…”

Section: Introductionmentioning

confidence: 99%

Mechanochemical synthesis and crystal structure evaluation of Na₂ZnSnS₄

Heppke

Bredow

Lerch

2022

Zeitschrift anorg allge chemie

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Phase‐pure and highly crystalline Na2ZnSnS4 was prepared via a mechanochemical synthesis route. It crystallizes in the kesterite‐type structure. The unusual large Debye‐Waller factors of the sodium atoms were analyzed in detail, respecting also group‐theoretical aspects. The results point to the existence of static disorder, mainly to the presence of various patterns of sodium ordering on a local scale. This is confirmed by quantum‐chemical calculations at hybrid density‐functional theory level. The dynamic atomic displacements due to phonons are much smaller than the observed Debye‐Waller factors.

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