Single-layer cadmium chalcogenides: promising visible-light driven photocatalysts for water splitting
文献情報
Jiajun Wang, Jie Meng, Qunxiang Li, Jinlong Yang
Recently, various single-layer materials have been explored as desirable photocatalyts for water splitting. In this work, based on extensive density functional theory calculations, we examine the geometric, electronic, optical, and potential photocatalytic properties of single-layer cadmium chalcogenides (CdX sheets, X = S, Se, and Te), which are cleaved from the (001) plane of the bulk wurtzite structure. The predicted formation energies have relatively low values and a suitable substrate (i.e. graphene) that can effectively stabilize CdX sheets, which imply that the fabrication and application of CdX sheets are highly possible in experiments. The calculated band gaps, band edge positions and optical absorptions clearly reveal that CdSe and CdTe sheets are promising photocatalysts for water splitting driven by visible light. Moreover, the band gaps and band edge positions of three CdX sheets can be effectively tuned by applying biaxial strain, which then can enhance their photocatalytic performance. These theoretical findings imply that CdX sheets are promising candidates for photocatalytic water splitting.
関連文献
Growth mechanism prediction for nanoparticles via structure matching polymerization
Yi-Rong Liu, Yan Jiang
DOI: 10.1039/D3CP04702D
Kinetic features of solvent extraction by N,O-donor ligands of f-elements: a comparative study of diamides based on 1,10-phenanthroline and 2,2′-bipyridine
Ekaterina A. Konopkina, Alexander V. Gopin, Anton S. Pozdeev, Maria G. Chernysheva, Paulina Kalle, Elizaveta A. Pavlova, Stepan N. Kalmykov, Vladimir G. Petrov, Nataliya E. Borisova, Alexander A. Guda, Petr I. Matveev
DOI: 10.1039/D3CP05081E
Effect of substituting donors on the hole mobility of hole transporting materials in perovskite solar cells: a DFT study
Md Al Mamunur Rashid, Sein Min, Sung Keon Namgoong, Keunhong Jeong
DOI: 10.1039/D3CP04310J
Graphene and graphene–cellulose nanocrystal composite films for sustainable anodes in biophotovoltaic devices
Laura T. Wey, Jouko Peltonen, Yagut Allahverdiyeva
DOI: 10.1039/D3SE01185B
An efficient particulate photocatalyst for overall water splitting based on scandium and magnesium co-doped strontium titanate
Riku Okamoto, Akira Kimura, Yuhi Nakayasu, Akira Yamakata, Ryota Tomizawa, Taizo Masuda, Koichiro Nakatani
DOI: 10.1039/D3SE01408H
Growth methods' effect on the physical characteristics of CsPbBr3 single crystal
Mohamed Ben Bechir, Faisal Alresheedi
DOI: 10.1039/D3CP04645A
Utilization of the through-space effect to design donor–acceptor systems of pyrrole, indole, isoindole, azulene and aniline
DOI: 10.1039/D3CP03393G
The effect of weak π–π interactions on single-molecule electron transport properties of the tetraphenylethene molecule and its derivatives: a first-principles study
Zhiye Wang, Yunchuan Li, Mingjun Sun
DOI: 10.1039/D3CP04593E
Peroxidase activity of a Cu–Fe bimetallic hydrogel and applications for colorimetric detection of ascorbic acid
Xiao-Juan Wang, Yan Long, Chuan-Wan Wei, Shu-Qin Gao
DOI: 10.1039/D3CP05403A
Dense arrangement of crown ethers in graphene: novel graphitic carbon oxides with enhanced optoelectronic properties
Hongyan Li, Jiang Xiang, Jing Xu, Wei Liu
DOI: 10.1039/D3CP03902A
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.










![2-Methylbenzo[h]quinoline structure 2-Methylbenzo[h]quinoline structure](https://static.chemtradehub.com/structs/605/605-88-9-ac43.webp)



