Atom-Scale Chemistry in Chalcopyrite-Based Photovoltaic Materials Visualized by Atom Probe Tomography

被引：0

作者：

Kim, Kihwan ^{[1
,2
]}

Jung, Chanwon ^{[3
]}

Yim, Kanghoon ^{[4
]}

Jeong, Inyoung ^{[1
]}

Shin, Donghyeop ^{[1
]}

Hwang, Inchan ^{[1
]}

Song, Soomin ^{[1
]}

Ahn, Seung Kyu ^{[1
]}

Eo, Young-Joo ^{[1
]}

Cho, Ara ^{[1
]}

Cho, Jun-Sik ^{[1
]}

Park, Joo Hyung ^{[1
]}

Choi, Pyuck-Pa ^{[3
]}

Yun, Jae Ho ^{[5
]}

Gwak, Jihye ^{[2
,6
]}

机构：

[1] Photovoltaics Research Department, Korea Institute of Energy Research, Daejeon,34129, Korea, Republic of

[2] University of Science and Technology, Daejeon,34113, Korea, Republic of

[3] Department of Materials Science and Engineering, Korea Advanced Institute of Science and Technology, Daejeon,34141, Korea, Republic of

[4] Computational Science and Engineering Laboratory, Korea Institute of Energy Research, Daejeon,34129, Korea, Republic of

[5] Institute for Energy Materials and Devices, Korea Institute of Energy Technology, Jeollanam-do, Naju-si,58339, Korea, Republic of

[6] New and Renewable Energy Institute, Korea Institute of Energy Research, Daejeon,34129, Korea, Republic of

来源：

ACS Applied Materials and Interfaces | 2022年 / 14卷 / 47期

基金：

新加坡国家研究基金会;

关键词：

APT - Atom-probe tomography - CIGS - Compositional fluctuations - Flexible - Grain-boundaries - Matrix elements - Photovoltaic devices - Photovoltaic materials - Scale chemistry;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Chalcopyrite-based materials for photovoltaic devices tend to exhibit complex structural imperfections originating from their polycrystalline nature; nevertheless, properly controlled devices are surprisingly irrelevant to them in terms of resulting device performances. The present work uses atom probe tomography to characterize co-evaporated high-quality Cu(In,Ga)Se2(CIGS) films on flexible polyimide substrates either with or without doping with Na or doping with Na followed by K via a post-deposition treatment. The intent is to elucidate the unique characteristics of the grain boundaries (GBs) in CIGS, in particular the correlations/anti-correlations between matrix elements and the alkali dopants. Various compositional fluctuations are identified at GBs irrespective of the presence of alkali elements. However, [Cu-poor and Se/In,Ga-rich] GBs are significantly more common than [Cu-rich and Se/In,Ga-poor] ones. In addition, the anti-correlations between Cu and the other matrix elements are found to show not only regular trends among themselves but also the association with the degree of alkali segregation at GBs. The Na and K concentrations exhibited a correlation at the GBs but not in the intragrain regions. Density functional theory calculations are used to explain the compositional fluctuations and alkali segregation at the GBs. Our experimental and theoretical findings not only reveal the benign or beneficial characteristics of the GBs of CIGS but also provide a fundamental understanding of the GB chemistry in CIGS-based materials. © 2022 American Chemical Society. All rights reserved.

引用

页码：52825 / 52837