Exploring the local electronic structure and geometric arrangement of ALD Zn(O,S) buffer layers using X-ray absorption spectroscopy

Anup L. Dadlani; Orlando Trejo; Shinjita Acharya; Jan Torgersen; Ioannis Petousis; Dennis Nordlund; Ritimukta Sarangi; Peter Schindler; Fritz B. Prinz

doi:10.1039/C5TC02912K

Exploring the local electronic structure and geometric arrangement of ALD Zn(O,S) buffer layers using X-ray absorption spectroscopy†

Anup L. Dadlani,‡^a Orlando Trejo,‡^b Shinjita Acharya,‡^b Jan Torgersen,^b Ioannis Petousis,^c Dennis Nordlund,^d Ritimukta Sarangi,^d Peter Schindler^b and Fritz B. Prinz*^bc

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* Corresponding authors

^a Department of Chemistry, Stanford University, Stanford, CA 94305, USA

^b Department of Mechanical Engineering, Stanford University, Stanford, CA 94305, USA
E-mail: fprinz@stanford.edu

^c Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, USA

^d Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA 94025, USA

Abstract

The growing interest in zinc oxysulfide (Zn(O,S)) thin films as buffer layers has been motivated by higher efficiencies achieved in solar cells. In this work we present insights into the electronic-geometric structure relationship of varying compositions of Zn(O,S) grown by atomic layer deposition (ALD). The X-ray absorption near edge structure (XANES), a local bonding-sensitive spectroscopic tool, with quantum simulations helps link the atomic structure to the unoccupied density of states (DOS) of the films. The infiltration of sulfur into a ZnO matrix results in the formation of S 3p–Zn 4sp–O 2p hybridized orbitals in the near edge X-ray absorption fine structure (NEXAFS) region of both the O and S K-edges. The extent of sulfur incorporation affects the ionicity of Zn, which in turn alters the bond lengths of Zn–O within the structure and its resulting bandgap. Knowing Zn(O,S)'s electronic-geometric structure interplay allows one to predict, tailor, and optimize its buffer layer performance.

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DOI: https://doi.org/10.1039/C5TC02912K
Article type: Communication
Submitted: 15 Sep 2015
Accepted: 05 Nov 2015
First published: 06 Nov 2015

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J. Mater. Chem. C, 2015,3, 12192-12198

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Exploring the local electronic structure and geometric arrangement of ALD Zn(O,S) buffer layers using X-ray absorption spectroscopy

A. L. Dadlani, O. Trejo, S. Acharya, J. Torgersen, I. Petousis, D. Nordlund, R. Sarangi, P. Schindler and F. B. Prinz, J. Mater. Chem. C, 2015, 3, 12192 DOI: 10.1039/C5TC02912K

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Journal of Materials Chemistry C

Exploring the local electronic structure and geometric arrangement of ALD Zn(O,S) buffer layers using X-ray absorption spectroscopy†

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Exploring the local electronic structure and geometric arrangement of ALD Zn(O,S) buffer layers using X-ray absorption spectroscopy

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