FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4214906575> ?p ?o ?g. }

• W4214906575 endingPage "132746" @default.
• W4214906575 startingPage "132746" @default.
• W4214906575 abstract "Electrocatalytic nitrogen reduction reaction (NRR) is a green and sustainable method for ammonia (NH3) synthesis, and electrocatalytic NRR may be a potential substitute for the industrial Haber–Bosch NH3 synthesis process. However, it is very necessary to develop efficient and low-cost NRR electrocatalysts because of the poor catalytic activity, strong competitiveness of the hydrogen evolution reaction (HER), and low yield of NH3 for the currently reported NRR electrocatalysts. In this study, using the first-principles computational simulation, the catalytic activity of the MoS2 catalyst, combining S defect and stress, for the NRR is systematically studied. The N2H formation and NH3 desorption are very important steps in the NRR process. Through screening, it is indicated that S vacancy is the active center, and the stress can improve the catalytic activity. Further, it is preliminarily judged that the strained MoS2 with a stress increase of 4% can effectively promote N2H formation and NH3 desorption; it is superior to the catalysts under other stress conditions, and it can considerably inhibit the HER. Our results provide an important theoretical basis for the application of the strained MoS2 catalyst in the field of the NRR and provide a reasonable design principle for the further discovery of high-performance catalysts." @default.
• W4214906575 created "2022-03-05" @default.
• W4214906575 creator A5013391133 @default.
• W4214906575 creator A5026489210 @default.
• W4214906575 creator A5029949822 @default.
• W4214906575 creator A5054426949 @default.
• W4214906575 creator A5063066778 @default.
• W4214906575 creator A5091561399 @default.
• W4214906575 date "2022-07-01" @default.
• W4214906575 modified "2023-10-15" @default.
• W4214906575 title "A computational study of strained MoS2 as catalysts for the electrocatalytic nitrogen reduction reaction" @default.
• W4214906575 cites W1979544533 @default.
• W4214906575 cites W2012824934 @default.
• W4214906575 cites W2028181954 @default.
• W4214906575 cites W2036113194 @default.
• W4214906575 cites W2058122340 @default.
• W4214906575 cites W2060023027 @default.
• W4214906575 cites W2074222618 @default.
• W4214906575 cites W2078397056 @default.
• W4214906575 cites W2092157292 @default.
• W4214906575 cites W2104029981 @default.
• W4214906575 cites W2146546128 @default.
• W4214906575 cites W2167035995 @default.
• W4214906575 cites W2220596051 @default.
• W4214906575 cites W2299291610 @default.
• W4214906575 cites W2322767323 @default.
• W4214906575 cites W2325627160 @default.
• W4214906575 cites W2566150112 @default.
• W4214906575 cites W267032426 @default.
• W4214906575 cites W2809445663 @default.
• W4214906575 cites W2895283837 @default.
• W4214906575 cites W2901448082 @default.
• W4214906575 cites W2907832494 @default.
• W4214906575 cites W2910211190 @default.
• W4214906575 cites W2912610691 @default.
• W4214906575 cites W2913399789 @default.
• W4214906575 cites W2914146174 @default.
• W4214906575 cites W2914493197 @default.
• W4214906575 cites W2944074160 @default.
• W4214906575 cites W2946934261 @default.
• W4214906575 cites W2981772636 @default.
• W4214906575 cites W3021392784 @default.
• W4214906575 cites W3035853553 @default.
• W4214906575 cites W3046416823 @default.
• W4214906575 cites W3095036288 @default.
• W4214906575 cites W3096658182 @default.
• W4214906575 cites W3105982350 @default.
• W4214906575 cites W3132688281 @default.
• W4214906575 cites W3132713256 @default.
• W4214906575 cites W3136212424 @default.
• W4214906575 cites W3143996811 @default.
• W4214906575 cites W3151802448 @default.
• W4214906575 cites W3154836589 @default.
• W4214906575 cites W3165216038 @default.
• W4214906575 cites W3167624577 @default.
• W4214906575 cites W3167998985 @default.
• W4214906575 cites W3209063729 @default.
• W4214906575 doi "https://doi.org/10.1016/j.molstruc.2022.132746" @default.
• W4214906575 hasPublicationYear "2022" @default.
• W4214906575 type Work @default.
• W4214906575 citedByCount "7" @default.
• W4214906575 countsByYear W42149065752022 @default.
• W4214906575 countsByYear W42149065752023 @default.
• W4214906575 crossrefType "journal-article" @default.
• W4214906575 hasAuthorship W4214906575A5013391133 @default.
• W4214906575 hasAuthorship W4214906575A5026489210 @default.
• W4214906575 hasAuthorship W4214906575A5029949822 @default.
• W4214906575 hasAuthorship W4214906575A5054426949 @default.
• W4214906575 hasAuthorship W4214906575A5063066778 @default.
• W4214906575 hasAuthorship W4214906575A5091561399 @default.
• W4214906575 hasConcept C121332964 @default.
• W4214906575 hasConcept C127413603 @default.
• W4214906575 hasConcept C134121241 @default.
• W4214906575 hasConcept C147789679 @default.
• W4214906575 hasConcept C150394285 @default.
• W4214906575 hasConcept C161790260 @default.
• W4214906575 hasConcept C162711632 @default.
• W4214906575 hasConcept C178790620 @default.
• W4214906575 hasConcept C179104552 @default.
• W4214906575 hasConcept C181258405 @default.
• W4214906575 hasConcept C185592680 @default.
• W4214906575 hasConcept C21951064 @default.
• W4214906575 hasConcept C2776382133 @default.
• W4214906575 hasConcept C42360764 @default.
• W4214906575 hasConcept C537208039 @default.
• W4214906575 hasConcept C55904794 @default.
• W4214906575 hasConcept C97355855 @default.
• W4214906575 hasConceptScore W4214906575C121332964 @default.
• W4214906575 hasConceptScore W4214906575C127413603 @default.
• W4214906575 hasConceptScore W4214906575C134121241 @default.
• W4214906575 hasConceptScore W4214906575C147789679 @default.
• W4214906575 hasConceptScore W4214906575C150394285 @default.
• W4214906575 hasConceptScore W4214906575C161790260 @default.
• W4214906575 hasConceptScore W4214906575C162711632 @default.
• W4214906575 hasConceptScore W4214906575C178790620 @default.
• W4214906575 hasConceptScore W4214906575C179104552 @default.
• W4214906575 hasConceptScore W4214906575C181258405 @default.
• W4214906575 hasConceptScore W4214906575C185592680 @default.

• next