Matches in SemOpenAlex for { <https://semopenalex.org/work/W4309592885> ?p ?o ?g. }
- W4309592885 endingPage "20363" @default.
- W4309592885 startingPage "20354" @default.
- W4309592885 abstract "Photocatalysts which can efficiently promote water splitting to generate hydrogen without using sacrificial reagents and cocatalysts are highly desirable. In this study, on the basis of first-principles calculations, we predict that a series of Ni-based Janus monolayers with a pentagonal structure are promising photocatalysts, where the hydrogen evolution reaction can solely be driven by photon-excited electrons. The stability of the investigated monolayers is affirmed through energetic analysis, phonon band structure calculations, and ab initio molecular dynamics simulations. From the perspective of the photocatalytic process, their high absorption coefficients (∼105 cm–1) guarantee strong light absorption, their intrinsic electric fields generated by the Janus structure are beneficial to charge transfer, and their high catalytic activity speeds up the hydrogen evolution reaction. Moreover, strain engineering turns out to be effective for tuning band alignment and improving the catalytic performance. This study provides a new type of photocatalyst with high solar-to-hydrogen efficiency." @default.
- W4309592885 created "2022-11-28" @default.
- W4309592885 creator A5057297741 @default.
- W4309592885 creator A5062333255 @default.
- W4309592885 creator A5081897935 @default.
- W4309592885 creator A5090354249 @default.
- W4309592885 date "2022-11-22" @default.
- W4309592885 modified "2023-09-30" @default.
- W4309592885 title "Ni-Based Janus Pentagonal Monolayers as Promising Water-Splitting Photocatalysts" @default.
- W4309592885 cites W1784264983 @default.
- W4309592885 cites W1964470106 @default.
- W4309592885 cites W1970127494 @default.
- W4309592885 cites W1972198310 @default.
- W4309592885 cites W1981368803 @default.
- W4309592885 cites W1982133696 @default.
- W4309592885 cites W1986147552 @default.
- W4309592885 cites W2007395042 @default.
- W4309592885 cites W2011472471 @default.
- W4309592885 cites W2022405597 @default.
- W4309592885 cites W2023212114 @default.
- W4309592885 cites W2028246503 @default.
- W4309592885 cites W2039475059 @default.
- W4309592885 cites W2039488279 @default.
- W4309592885 cites W2040225364 @default.
- W4309592885 cites W2042492216 @default.
- W4309592885 cites W2053499780 @default.
- W4309592885 cites W2055019368 @default.
- W4309592885 cites W2067983335 @default.
- W4309592885 cites W2072312985 @default.
- W4309592885 cites W2073128200 @default.
- W4309592885 cites W2083222334 @default.
- W4309592885 cites W2084762241 @default.
- W4309592885 cites W2085093563 @default.
- W4309592885 cites W2091135029 @default.
- W4309592885 cites W2092157292 @default.
- W4309592885 cites W2103291130 @default.
- W4309592885 cites W2114291507 @default.
- W4309592885 cites W2135602104 @default.
- W4309592885 cites W2154903153 @default.
- W4309592885 cites W2160092711 @default.
- W4309592885 cites W2167035995 @default.
- W4309592885 cites W2178783903 @default.
- W4309592885 cites W2252309043 @default.
- W4309592885 cites W2323275360 @default.
- W4309592885 cites W2327222367 @default.
- W4309592885 cites W2334012917 @default.
- W4309592885 cites W2341112455 @default.
- W4309592885 cites W2473241528 @default.
- W4309592885 cites W2475331696 @default.
- W4309592885 cites W2590191070 @default.
- W4309592885 cites W2597054437 @default.
- W4309592885 cites W2608790738 @default.
- W4309592885 cites W2614371951 @default.
- W4309592885 cites W2620851704 @default.
- W4309592885 cites W2752167005 @default.
- W4309592885 cites W2786488721 @default.
- W4309592885 cites W2792783085 @default.
- W4309592885 cites W2799692084 @default.
- W4309592885 cites W2804098559 @default.
- W4309592885 cites W2885182639 @default.
- W4309592885 cites W2886477127 @default.
- W4309592885 cites W2888776392 @default.
- W4309592885 cites W2890318273 @default.
- W4309592885 cites W2898963672 @default.
- W4309592885 cites W2901810101 @default.
- W4309592885 cites W2902416803 @default.
- W4309592885 cites W2903988571 @default.
- W4309592885 cites W2908172765 @default.
- W4309592885 cites W2925283605 @default.
- W4309592885 cites W2946117300 @default.
- W4309592885 cites W2972682126 @default.
- W4309592885 cites W2995968297 @default.
- W4309592885 cites W3005679657 @default.
- W4309592885 cites W3009964724 @default.
- W4309592885 cites W3011412093 @default.
- W4309592885 cites W3024139038 @default.
- W4309592885 cites W3030793002 @default.
- W4309592885 cites W3044004869 @default.
- W4309592885 cites W3044968913 @default.
- W4309592885 cites W3081940202 @default.
- W4309592885 cites W3100503782 @default.
- W4309592885 cites W3119311933 @default.
- W4309592885 cites W3127076919 @default.
- W4309592885 cites W3133842922 @default.
- W4309592885 cites W3163353793 @default.
- W4309592885 cites W3170296919 @default.
- W4309592885 cites W3177838571 @default.
- W4309592885 cites W3189906861 @default.
- W4309592885 cites W3197215795 @default.
- W4309592885 cites W3207966303 @default.
- W4309592885 cites W4200185474 @default.
- W4309592885 cites W4205999819 @default.
- W4309592885 cites W4220982796 @default.
- W4309592885 cites W4229002722 @default.
- W4309592885 cites W4232009632 @default.
- W4309592885 doi "https://doi.org/10.1021/acs.jpcc.2c05815" @default.
- W4309592885 hasPublicationYear "2022" @default.
- W4309592885 type Work @default.