Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

English (EN)·Polski (PL)·Ukraiński (UK)
Przejdź do strony domowej biblioteki Uniwersytet Ekonomiczny we Wrocławiu Link otwiera się w nowym oknie Logo biblioteki Prolib Integro - strona głównaUniwersytet Ekonomiczny we Wrocławiu
Tytuł pozycji:

Electronic Properties of Triangle Molybdenum Disulfide (MoS 2 ) Clusters with Different Sizes and Edges.

Tytuł:
Electronic Properties of Triangle Molybdenum Disulfide (MoS 2 ) Clusters with Different Sizes and Edges.
Autorzy:
Wang S; School of Physics, Harbin Institute of Technology, Harbin 150001, China.; Key Lab of Micro-Optics and Photonic Technology of Heilongjiang Province, Harbin 150001, China.
Han C; School of Mechanical & Power Engineering, Harbin University of Science and Technology, Harbin 150080, China.
Ye L; Key Laboratory of Green Chemical Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150080, China.
Zhang G; Key Laboratory of Green Chemical Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150080, China.
Hu Y; Key Laboratory of Green Chemical Technology of College of Heilongjiang Province, College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin 150080, China.
Li W; School of Physics, Harbin Institute of Technology, Harbin 150001, China.; State Key Laboratory of Intense Pulsed Radiation Simulation and Effect, Xi'an 710024, China.
Jiang Y; School of Physics, Harbin Institute of Technology, Harbin 150001, China.; Key Lab of Micro-Optics and Photonic Technology of Heilongjiang Province, Harbin 150001, China.
Źródło:
Molecules (Basel, Switzerland) [Molecules] 2021 Feb 22; Vol. 26 (4). Date of Electronic Publication: 2021 Feb 22.
Typ publikacji:
Journal Article
Język:
English
Imprint Name(s):
Original Publication: Basel, Switzerland : MDPI, c1995-
MeSH Terms:
Density Functional Theory*
Disulfides/*chemistry
Molybdenum/*chemistry
Electronics ; Models, Molecular ; Particle Size ; Surface Properties
References:
Science. 2004 Oct 22;306(5696):666-9. (PMID: 15499015)
Chem Commun (Camb). 2015 Apr 14;51(29):6293-6. (PMID: 25659599)
ACS Nano. 2014 Feb 25;8(2):1102-20. (PMID: 24476095)
J Comput Chem. 2012 Feb 15;33(5):580-92. (PMID: 22162017)
ACS Appl Mater Interfaces. 2019 Feb 6;11(5):4858-4866. (PMID: 30628779)
Chemphyschem. 2015 Jul 20;16(10):2151-8. (PMID: 25951233)
J Mater Chem B. 2016 Jan 7;4(1):27-31. (PMID: 32262806)
Nat Nanotechnol. 2011 Mar;6(3):147-50. (PMID: 21278752)
Chem Rev. 2017 May 10;117(9):6225-6331. (PMID: 28306244)
Angew Chem Int Ed Engl. 2011 Nov 18;50(47):11093-7. (PMID: 22021163)
J Mater Chem B. 2019 May 7;7(17):2799-2807. (PMID: 32255082)
Nat Nanotechnol. 2012 Nov;7(11):699-712. (PMID: 23132225)
J Chem Phys. 2004 May 8;120(18):8425-33. (PMID: 15267767)
Nanoscale. 2013 Apr 21;5(8):3387-94. (PMID: 23467444)
Phys Rev B Condens Matter. 1988 Jan 15;37(2):785-789. (PMID: 9944570)
Nat Chem. 2013 Apr;5(4):263-75. (PMID: 23511414)
Small. 2019 Jul;15(30):e1901908. (PMID: 31165563)
ACS Appl Mater Interfaces. 2015 Apr 22;7(15):7809-32. (PMID: 25822145)
Anal Chem. 2018 Mar 20;90(6):3942-3949. (PMID: 29429339)
Chem Soc Rev. 2018 May 8;47(9):3301-3338. (PMID: 29671441)
ACS Appl Mater Interfaces. 2016 Feb 10;8(5):3107-14. (PMID: 26761391)
Nanotechnology. 2019 Jul 19;30(29):295501. (PMID: 30939462)
Nat Nanotechnol. 2007 Jan;2(1):53-8. (PMID: 18654208)
Nat Mater. 2007 Mar;6(3):183-91. (PMID: 17330084)
Science. 2014 May 2;344(6183):488-90. (PMID: 24786072)
Mater Sci Eng C Mater Biol Appl. 2020 Apr;109:110511. (PMID: 32228919)
Science. 2007 Jul 6;317(5834):100-2. (PMID: 17615351)
Acc Chem Res. 2004 May;37(5):326-33. (PMID: 15147173)
Chem Rev. 2013 May 8;113(5):3766-98. (PMID: 23286380)
Nano Lett. 2010 Apr 14;10(4):1271-5. (PMID: 20229981)
Phys Rev Lett. 2010 Sep 24;105(13):136805. (PMID: 21230799)
Grant Information:
B2018007 Natural Science Foundation of Heilongjiang Province of China
Contributed Indexing:
Keywords: electronic properties; molybdenum disulfide clusters; nanomaterials; quantum chemistry
Substance Nomenclature:
0 (Disulfides)
81AH48963U (Molybdenum)
ZC8B4P503V (molybdenum disulfide)
Entry Date(s):
Date Created: 20210306 Date Completed: 20210407 Latest Revision: 20210407
Update Code:
20240104
PubMed Central ID:
PMC7927058
DOI:
10.3390/molecules26041157
PMID:
33671512
Czasopismo naukowe
Pełny tekst  Link otwiera się w nowym oknie
The electronic structures and transition properties of three types of triangle MoS 2 clusters, A (Mo edge passivated with two S atoms), B (Mo edge passivated with one S atom), and C (S edge) have been explored using quantum chemistry methods. The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gap of B and C is larger than that of A, due to the absence of the dangling of edge S atoms. The frontier orbitals (FMOs) of A can be divided into two categories, edge states from S 3 p at the edge and hybrid states of Mo 4 d and S 3 p covering the whole cluster. Due to edge/corner states appearing in the FMOs of triangle MoS 2 clusters, their absorption spectra show unique characteristics along with the edge structure and size.
Zaloguj się, aby uzyskać dostęp do pełnego tekstu.

Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies