Band gap engineering of bulk and nanosheet SnO: an insight into the interlayer Sn–Sn lone pair interactions
Literature Information
The effects of interlayer lone-pair interactions on the electronic structure of SnO are explored using density-functional theory. Our comprehensive study reveals that the band gap of SnO opens with the increase in the interlayer Sn–Sn distance. The effect is rationalized by the character of band edges which consist of bonding and anti-bonding states from interlayer lone pair interactions. The band edges for several nanosheets and strained double-layer SnO are estimated. We conclude that the double-layer SnO is a promising material for visible-light driven photocatalysts for hydrogen evolution.
Recommended Journals
Related Literature
Design of selective divalent chain transfer agents for coordinative chain transfer polymerization of ethylene and its copolymerization with butadiene
Julien Thuilliez
DOI: 10.1039/D2PY00155A
Introduction to the themed collection on synthetic methodologies for complex macromolecular structures in honour of Prof. Yusuf Yagci's 70th birthday
Hatice Mutlu, Filip E. Du Prez, C. Remzi Becer
DOI: 10.1039/D2PY90035A
One-pot synthesis of structure-controlled temperature-responsive polymer gels
Tomoki Sakai, Nagisa Ito, Mitsuo Hara, Takahiro Seki, Mineto Uchiyama, Masami Kamigaito, Kotaro Satoh, Taiki Hoshino, Yukikazu Takeoka
DOI: 10.1039/D2PY00554A
Thermoresponsive metalloprotein-based hybrid hydrogels for the reversible and highly selective removal of lead(ii) from water
Tianbiao Wei, Shanqing Huang, Qingyuan Hu, Jue Wang, Zhongzhong Huo, Tongyang Zhu, Chi Wu, Hao Chen
DOI: 10.1039/D1PY01574E
Correction: pH sensitive water-in-water emulsions based on the pullulan and poly(N,N-dimethylacrylamide) aqueous two-phase system
Alexander Plucinski, Bernhard V. K. J. Schmidt
DOI: 10.1039/D2PY90095E
Cationic polymerization of butadiene using alkyl aluminum compounds as co-initiators: an efficient approach toward solid polybutadienes
Victor A. Rozentsvet, Daria M. Ulyanova, Nelly A. Sablina, Peter M. Tolstoy, Ivan A. Novakov
DOI: 10.1039/D1PY01684A
Self-healable triboelectric nanogenerators based on ionic poly(hindered urea) network materials cross-linked with fluorinated block copolymers
Pothanagandhi Nellepalli, Twinkal Patel, Minsoo P. Kim, Junyoung Park, Zhibin Ye, Hyun Wook Jung, Hyunhyub Ko, Jung Kwon Oh
DOI: 10.1039/D2PY00252C
Synthesis of block copolymers containing 3-chloro-2-hydroxypropyl methacrylate by NMP – a versatile platform for functionalization
Michael Klein
DOI: 10.1039/D2PY00611A
Recent advances in asymmetric organocatalysis based on helical polymers
Li Zhou, Kai He, Na Liu
DOI: 10.1039/D2PY00483F
You might also like
What are the main uses of 1-(3-Aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(2-pyridinyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea (CAS: 155412-88-7)?
This compound is mainly used as an intermediate in the synthesis of antipsychoti...
How should waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 19132-12-8) be handled?
Waste containing 1-(D-Ribofuranosyl)-1,4-dihydro-3-pyridinecarboxamide (CAS: 191...
What regulatory guidelines apply to 2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 2007919-81-3)?
2-Methyl-2-propanyl 3-bromo-3-(hydroxymethyl)-1-azetidinecarboxylate (CAS: 20079...
What is N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0)?
N-(4-Chloro-2-pyridinyl)acetamide (CAS: 245056-66-0) is a chemical compound with...
What is 5-Chloro-2-hydroxybenzoic acid (CAS: 321-14-2)?
5-Chloro-2-hydroxybenzoic acid, also known as 5-chlorosalicylic acid, is an arom...
What precautions should be taken when handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6)?
When handling 1,1-Dichloro-1-fluoroethane (CAS: 1717-00-6), it is important to u...
What are the physical and chemical properties of Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid (CAS: 281655-32-1)?
Fmoc-(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid is a white crystalline solid ...
What are the main uses of 4-Amino-5-bromo-2-pyridinecarboxylic acid (CAS: 1363381-01-4)?
4-Amino-5-bromo-2-pyridinecarboxylic acid is primarily used as a precursor in th...
What precautions should be taken when handling (S)-tert-butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate (CAS: 1007881-98-2)?
Handling this compound should be done with personal protective equipment (PPE) i...
What precautions should be taken when handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS: 688363-73-7)?
When handling 8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one, use prop...
Source Journal
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.










![2,6-Bis({(2R)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-4-methylphenol structure 2,6-Bis({(2R)-2-[hydroxy(diphenyl)methyl]-1-pyrrolidinyl}methyl)-4-methylphenol structure](https://static.chemtradehub.com/structs/877/877395-58-9-70bf.webp)
![Pyrazolo[1,5-a]pyridine-3-carbothioamide structure Pyrazolo[1,5-a]pyridine-3-carbothioamide structure](https://static.chemtradehub.com/structs/885/885275-44-5-aae0.webp)


