Revealing the electronic structure, heterojunction band offset and alignment of Cu2ZnGeSe4: a combined experimental and computational study towards photovoltaic applications
文献情報
Sachin R. Rondiya, Yogesh A. Jadhav, Russell W. Cross, Hirendra N. Ghosh, Thomas E. Davies, Sandesh R. Jadkar, Nelson Y. Dzade
Cu2ZnGeSe4 (CZGSe) is a promising earth-abundant and non-toxic semiconductor material for large-scale thin-film solar cell applications. Herein, we have employed a joint computational and experimental approach to characterize and assess the structural, optoelectronic, and heterojunction band offset and alignment properties of a CZGSe solar absorber. The CZGSe films were successfully prepared using DC-sputtering and e-beam evaporation systems and confirmed by XRD and Raman spectroscopy analyses. The CZGSe films exhibit a bandgap of 1.35 eV, as estimated from electrochemical cyclic voltammetry (CV) measurements and validated by first-principles density functional theory (DFT) calculations, which predicts a bandgap of 1.38 eV. A fabricated device based on the CZGSe as a light absorber and CdS as a buffer layer yields power conversion efficiency (PCE) of 4.4% with VOC of 0.69 V, FF of 37.15, and Jsc of 17.12 mA cm−2. Therefore, we suggest that interface and band offset engineering represent promising approaches to improve the performance of CZGSe devices by predicting a type-II staggered band alignment with a small conduction band offset of 0.18 eV at the CZGSe/CdS interface.
関連文献
MCuB7O12·nH2O (M = Na, K ): A new copper borate with 14-ring channels
Tao Yang, Guobao Li, Liping You, Jing Ju, Fuhui Liao, Jianhua Lin
DOI: 10.1039/B506901G
Control of dark current in photoelectrochemical (TiO2/I−–I3−) and dye-sensitized solar cells
Seigo Ito, Paul Liska, Pascal Comte, Raphaël Charvet, Peter Péchy, Udo Bach, Lukas Schmidt-Mende, Shaik Mohammed Zakeeruddin, Andreas Kay, Mohammad K. Nazeeruddin, Michael Grätzel
DOI: 10.1039/B505718C
Chemistry of aluminium(i)
Herbert W. Roesky, S. Shravan Kumar
DOI: 10.1039/B505307B
Enantioselective allylation of ketones catalyzed by chiral In(iii)-PYBOX complexes
Mei-Ling Hong, Shun-Jun Ji, Yong-Chua Teo
DOI: 10.1039/B507768K
Entropy-controlled supramolecular photochirogenesis: enantiodifferentiating Z–E photoisomerization of cyclooctene included and sensitized by permethylated 6-O-benzoyl-β-cyclodextrin
Gaku Fukuhara, Tadashi Mori
DOI: 10.1039/B504948B
The synthesis of tris(perfluoroalkyl)phosphines
Makeba B. Murphy-Jolly, Lesley C. Lewis, Andrew J. M. Caffyn
DOI: 10.1039/B507752D
Solid-state 87Rb NMR signatures for rubidium cations bound to a G-quadruplex
Ramsey Ida, Gang Wu
DOI: 10.1039/B505674H
Porous polystyrene microspheres having dimpled surface structures prepared within micellar assemblies of amphiphilic silica particles in water
Yoshiko K. Takahara, Koji Tachi, Takao Sakata, Toshiaki Hasegawa, Hirotaro Mori, Michio Matsumura, Bunsho Ohtani
DOI: 10.1039/B507123B
Preparation of biohybrid amphiphiles via the copper catalysed Huisgen [3 + 2] dipolar cycloaddition reaction
A. J. (Ton) Dirks, Sander S. van Berkel, Nikos S. Hatzakis, Joost A. Opsteen, Floris L. van Delft, Jeroen J. L. M. Cornelissen, Alan E. Rowan, Jan C. M. van Hest, Floris P. J. T. Rutjes, Roeland J. M. Nolte
DOI: 10.1039/B508428H
PNA C–C+i-motif: superior stability of PNA TC8 tetraplexes compared to DNA TC8 tetraplexes at low pH
Nagendra K. Sharma, Krishna N. Ganesh
DOI: 10.1039/B506870C
こちらもおすすめ
2-メトキシ-4-(メチルスルフィニル)アミンの主な用途は何ですか?
2-メトキシ-4-(メチルスルフィニル)アミンは、主に医薬品および農薬の製造に使用されます。また、合成化学の一部として研究用材料としても利用されます。
4,6-二氯-N-甲基ピラミジンアミンの代替品はありますか?
代替品としては、4,6-二クロロピラミジンアミンや他のピラミジン系化合物が考えられます。ただし、目的と用途によって最適な代替品は異なります。
6-氯-4-甲基-1H-吲哚を含む廃棄物はどのように処理すべきですか?
6-氯-4-甲基-1H-吲哚の廃棄物は、適切な容器に収集し、密閉して保管します。温度は常温、湿度は低く、直射日光を避けて保管することを推奨します。廃棄処理は専門...
2-フローユロ-4-(トリフルオロメチル)ベンゾイドについて「に適用される法規ガイドラインは何ですか」
2-フローユロ-4-(トリフルオロメチル)ベンゾイドのCAS番号は207974-08-1です。この化合物はGHS分類で毒性物質と有害な反応物質として分類されます...
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸はどのように保存すればよいですか?
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸は、室温で暗所に保管し、乾燥した環境で保存することを推奨します。容器は密閉性の...
イソデスロラタドリンの代替品はありますか?
イソデスロラタドリンの代替品としては、デスロラタドリンや他の抗ヒスタミン薬が挙げられます。具体的には、デスロラタドリン、ラセカミド、フェルタドリンなどが、症状や...
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐はどのように合成されますか?
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐の一般的な合成方法は、メタノール中で5-メトキシ-1,2,3,4-四ヒュドロイソキシンを塩酸で塩化します。この反応で...
4-アミノ-5-メトキシ-2-トルエンサルホニック酸についての法規ガイドラインは何ですか?
CAS番号6471-78-9の4-アミノ-5-メトキシ-2-トルエンサルホニック酸は、GHS分類では corrosive(腐食性)と識別されます。EUのREAC...
甲基孕酮を取り扱う際の実験室安全事項は何ですか?
甲基孕酮の取り扱いは、PPE(個人保護具)の使用が必要な重要な安全事項を伴います。防塵マスク、ゴーグル、手袋を着用することが推奨されます。ドラフトチャンバーを使...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![4-Chloro-2-{[(2-chlorophenoxy)acetyl]amino}benzoic acid structure 4-Chloro-2-{[(2-chlorophenoxy)acetyl]amino}benzoic acid structure](https://static.chemtradehub.com/structs/351/351424-20-9-9467.webp)

![2-(7,7-Difluorobicyclo[4.1.0]hept-1-yl)ethanamine structure 2-(7,7-Difluorobicyclo[4.1.0]hept-1-yl)ethanamine structure](https://static.chemtradehub.com/structs/209/2098065-08-6-ff24.webp)
