Exploring Cd-Zn-O-S alloys for improved buffer layers in thin-film photovoltaics

Varley, J. B.; Lordi, V.; He, X.; Rockett, A.

doi:10.1103/PhysRevMaterials.1.025403

Title: Exploring Cd-Zn-O-S alloys for improved buffer layers in thin-film photovoltaics

Journal Article · Mon Jul 17 00:00:00 EDT 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.1.025403· OSTI ID:1418936

Varley, J. B. ^[1]; Lordi, V. ^[1]; He, X. ^[2]; Rockett, A. ^[2]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States)

Here, to compete with existing and more mature solar cell technologies such as crystalline Si, thin-film photovoltaics require optimization of every aspect in the device heterostructure to reach maximum efficiencies and cost effectiveness. For absorbers like CdTe, Cu(In,Ga)Se₂ (CIGSe), and Cu₂ZnSn(S,Se)₄ (CZTSSe), improving the n-type buffer layer partner beyond conventional CdS is one avenue that can reduce photocurrent losses and improve overall performance. Here, we use first-principles calculations based on hybrid functionals to explore alloys spanning the Cd-, Zn-, O-, and S-containing phase space to identify compositions that may be superior to common buffers like pure CdS or Zn(O,S). We address issues highly correlated with device performance such as lattice-matching for improved buffer-absorber epitaxy and interface quality, dopability, the band gap for reduced absorption losses in the buffer, and the conduction-band offsets shown to facilitate improved charge separation from photoexcited carriers. We supplement our analysis with device-level simulations as parameterized from our calculations and real devices to assess our conclusions of low-Zn and O content buffers showing improved performance with respect to CdS buffers.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1418936

Alternate ID(s):: OSTI ID: 1371613

Report Number(s):: LLNL-JRNL-726081; PRMHAR; TRN: US1801316

Journal Information:: Physical Review Materials, Vol. 1, Issue 2; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 7 works

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