FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4309293874> ?p ?o ?g. }

• W4309293874 endingPage "543" @default.
• W4309293874 startingPage "533" @default.
• W4309293874 abstract "• MoTe 2 is a promising material for NO 2 detection. • The use of metal atom modified substrates greatly transformed the original properties. • The adsorption structures under different systems were explored as gas sensors and scavengers. For the detection of the more hazardous nitrogen oxides (NO 2 ), there is a need to find a readily fabricated, low-cost, high-performance two-dimensional material. This paper selected three transition metal disulphides (TMDs), MoTe 2 , MoSe 2 and MoS 2 , as materials for detecting NO 2 molecules by density flooding theory (DFT). The results show that the pure Mo(Te/Se/S) 2 monolayer has a poor detection effect on NO 2 molecules, and the modified monolayer exhibits better performance than its natural counterpart due to the significant electron hybridization between the dopant and the gas molecules after the introduction of metal atoms on the surface. It also leads to significant changes in electronic properties and work functions. The charge transfer mechanism based on Hirshfeld analysis shows that the charge transfer from the modified substrate to the NO 2 molecule improves the binding characteristics. And by discussing the adsorption structure, adsorption energy, local electron density, density of states, and frontier orbit theory, we show that MoTe 2 is a promising material for gas detection and removal, which will provide experimentalists with theoretical guidance for the application of Mo(Te/Se/S) 2 based sensing materials. Our work is important for predicting novel monosulfide sensing materials and extending the application of TMDs as chemical gas sensors in the field of environmental monitoring." @default.
• W4309293874 created "2022-11-25" @default.
• W4309293874 creator A5006382637 @default.
• W4309293874 creator A5007812226 @default.
• W4309293874 creator A5019593282 @default.
• W4309293874 creator A5033838618 @default.
• W4309293874 creator A5045935811 @default.
• W4309293874 date "2023-02-01" @default.
• W4309293874 modified "2023-10-04" @default.
• W4309293874 title "Transition metal disulfide (MoTe2, MoSe2 and MoS2) were modified to improve NO2 gas sensitivity sensing" @default.
• W4309293874 cites W1966750682 @default.
• W4309293874 cites W1981368803 @default.
• W4309293874 cites W2013025219 @default.
• W4309293874 cites W2062431688 @default.
• W4309293874 cites W2067373086 @default.
• W4309293874 cites W2127351808 @default.
• W4309293874 cites W2128748887 @default.
• W4309293874 cites W2249694920 @default.
• W4309293874 cites W2613892537 @default.
• W4309293874 cites W2735658427 @default.
• W4309293874 cites W2752960789 @default.
• W4309293874 cites W2790788036 @default.
• W4309293874 cites W2797773366 @default.
• W4309293874 cites W2804067205 @default.
• W4309293874 cites W2806879995 @default.
• W4309293874 cites W2876684679 @default.
• W4309293874 cites W2885264095 @default.
• W4309293874 cites W2891203053 @default.
• W4309293874 cites W2897343387 @default.
• W4309293874 cites W2897843905 @default.
• W4309293874 cites W2903326442 @default.
• W4309293874 cites W2908641577 @default.
• W4309293874 cites W2958276452 @default.
• W4309293874 cites W2966478552 @default.
• W4309293874 cites W2980824144 @default.
• W4309293874 cites W3003652834 @default.
• W4309293874 cites W3008965099 @default.
• W4309293874 cites W3017818953 @default.
• W4309293874 cites W3038973433 @default.
• W4309293874 cites W3087715989 @default.
• W4309293874 cites W3090249274 @default.
• W4309293874 cites W3096648513 @default.
• W4309293874 cites W3097031291 @default.
• W4309293874 cites W3105478260 @default.
• W4309293874 cites W3126565361 @default.
• W4309293874 cites W3154038414 @default.
• W4309293874 cites W3161850300 @default.
• W4309293874 cites W3184248194 @default.
• W4309293874 cites W3195868496 @default.
• W4309293874 cites W4200369334 @default.
• W4309293874 cites W4206805911 @default.
• W4309293874 cites W4221106297 @default.
• W4309293874 cites W4247708926 @default.
• W4309293874 cites W4281732978 @default.
• W4309293874 cites W4297810212 @default.
• W4309293874 cites W4303968791 @default.
• W4309293874 cites W4304775330 @default.
• W4309293874 doi "https://doi.org/10.1016/j.jiec.2022.11.036" @default.
• W4309293874 hasPublicationYear "2023" @default.
• W4309293874 type Work @default.
• W4309293874 citedByCount "4" @default.
• W4309293874 countsByYear W43092938742023 @default.
• W4309293874 crossrefType "journal-article" @default.
• W4309293874 hasAuthorship W4309293874A5006382637 @default.
• W4309293874 hasAuthorship W4309293874A5007812226 @default.
• W4309293874 hasAuthorship W4309293874A5019593282 @default.
• W4309293874 hasAuthorship W4309293874A5033838618 @default.
• W4309293874 hasAuthorship W4309293874A5045935811 @default.
• W4309293874 hasConcept C106773901 @default.
• W4309293874 hasConcept C127413603 @default.
• W4309293874 hasConcept C161790260 @default.
• W4309293874 hasConcept C171250308 @default.
• W4309293874 hasConcept C178790620 @default.
• W4309293874 hasConcept C185592680 @default.
• W4309293874 hasConcept C191897082 @default.
• W4309293874 hasConcept C192562407 @default.
• W4309293874 hasConcept C21200559 @default.
• W4309293874 hasConcept C24326235 @default.
• W4309293874 hasConcept C27256138 @default.
• W4309293874 hasConcept C2780423959 @default.
• W4309293874 hasConcept C544153396 @default.
• W4309293874 hasConcept C55493867 @default.
• W4309293874 hasConceptScore W4309293874C106773901 @default.
• W4309293874 hasConceptScore W4309293874C127413603 @default.
• W4309293874 hasConceptScore W4309293874C161790260 @default.
• W4309293874 hasConceptScore W4309293874C171250308 @default.
• W4309293874 hasConceptScore W4309293874C178790620 @default.
• W4309293874 hasConceptScore W4309293874C185592680 @default.
• W4309293874 hasConceptScore W4309293874C191897082 @default.
• W4309293874 hasConceptScore W4309293874C192562407 @default.
• W4309293874 hasConceptScore W4309293874C21200559 @default.
• W4309293874 hasConceptScore W4309293874C24326235 @default.
• W4309293874 hasConceptScore W4309293874C27256138 @default.
• W4309293874 hasConceptScore W4309293874C2780423959 @default.
• W4309293874 hasConceptScore W4309293874C544153396 @default.
• W4309293874 hasConceptScore W4309293874C55493867 @default.
• W4309293874 hasLocation W43092938741 @default.
• W4309293874 hasOpenAccess W4309293874 @default.

• next