A DFT Study and Experimental Evidence of the Sonication-Induced Cleavage of Molybdenum Sulfide Mo2S3 in Liquids | Sciact - CRIS-system of Boreskov Institute of Catalysis

A DFT Study and Experimental Evidence of the Sonication-Induced Cleavage of Molybdenum Sulfide Mo2S3 in Liquids Full article

Journal

Journal of Materials Chemistry C
ISSN: 2050-7526

Output data

Year: 2017, Volume: 5, Number: 26, Pages: 6601-6610 Pages count : 10 DOI: 10.1039/c7tc01320e

Tags

TRANSITION-METAL DICHALCOGENIDES; VOLATILE ORGANIC-COMPOUNDS; CHAIN COMPOUND MO2S3; 2-DIMENSIONAL NANOSHEETS; COLLOIDAL DISPERSIONS; AQUEOUS DISPERSIONS; PHASE EXFOLIATION; LAYERED MATERIALS; HUMIDITY SENSOR; MOS2

Authors

Kozlova Mariia N. ¹ , Enyashin Andrey N. ² , Grayfer Ekaterina D. ¹ , Kuznetsov Vitalii A. ¹ , Plyusnin Pavel E. ^1,3 , Nebogatikova Nadezhda A. ⁴ , Zaikovskii Vladimir I. ^3,5 , Fedorov Vladimir E. ^1,3

Affiliations

1	Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 3, Acad. Lavrentiev prospect, Novosibirsk, 630090, Russian Federation
2	Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91, Pervomayskaya st., Ekaterinburg, 620990, Russian Federation
3	Novosibirsk State University, 2, Pirogova st., Novosibirsk, 630090, Russian Federation
4	Rzhanov Institute of Semiconductor Physics, Siberian Branch of the Russian Academy of Sciences, 13, Acad. Lavrentiev prospect, Novosibirsk, 630090, Russian Federation
5	Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, 5, Acad. Lavrentiev prospect, Novosibirsk, 630090, Russian Federation

Funding (1)

Russian Foundation for Basic Research

17-03-00074

The Mo–S phase diagram exhibits two stable compounds: well-recognized layered molybdenum disulfide MoS2 and less studied molybdenum sesquisulfide Mo2S3. Here, we build a theoretical framework for the exfoliation of Mo2S3 based on density functional theory calculations and further experimentally prove its dispersibility under ultrasonic treatment and demonstrate its potential for use in gas detectors. First, we report computational studies of both Mo2S3 exfoliation and molecular adsorption on the Mo2S3 surface. The calculations reveal the preferential direction for the fragmentation of the Mo2S3 crystal along the ([1 with combining macron]01) plane and, likely, chemisorptive interaction of solvent molecules, such as H2O or DMSO, with the ([1 with combining macron]01) Mo2S3 surface. Next, we experimentally study the sonication of bulk Mo2S3 samples in organic solvents and show that, indeed, they may be converted to colloidal nanosized sheets. Solid particles in the dispersions retain the initial Mo2S3 crystal structure and have the shape of plates with typical thicknesses of 5–30 nm and lateral sizes of 100–400 nm. Finally, we investigate the gas sensing properties of the Mo2S3 films deposited from the dispersions towards moisture gas and several representative volatile organic compounds.

Kozlova M.N. , Enyashin A.N. , Grayfer E.D. , Kuznetsov V.A. , Plyusnin P.E. , Nebogatikova N.A. , Zaikovskii V.I. , Fedorov V.E.
A DFT Study and Experimental Evidence of the Sonication-Induced Cleavage of Molybdenum Sulfide Mo2S3 in Liquids

Journal of Materials Chemistry C. 2017. V.5. N26. P.6601-6610. DOI: 10.1039/c7tc01320e WOS Scopus РИНЦ AN OpenAlex

Full text from publisher

Submitted:	Mar 28, 2017
Accepted:	May 30, 2017
Published online:	Jun 6, 2017
Published print:	Jul 14, 2017

Web of science:	WOS:000405000500026
Scopus:	2-s2.0-85022180189
Elibrary:	31055115
Chemical Abstracts:	2017:1012732
OpenAlex:	W2624451971

DB	Citing
Web of science	18
Scopus	18
Elibrary	16
OpenAlex	16