Matches in SemOpenAlex for { <https://semopenalex.org/work/W4229443119> ?p ?o ?g. }
- W4229443119 endingPage "121359" @default.
- W4229443119 startingPage "121359" @default.
- W4229443119 abstract "Solar driven water splitting for hydrogen generation has been considered as an important method for collecting clean energy. Herein, based on first-principles calculations, we propose that ZnO/BlueP van der Waals heterostructure can realize overall water splitting reaction for hydrogen generation. Strikingly, the band-gap of 1.83 eV is appropriate, and band alignments straddle the water redox potentials, ensuring the occurrence of hydrogenevolutionreaction and oxygen evolution reaction. Charge density distribution and carrier mobility exhibit significant charge separation and transfer. Visible-light response is improved compared with those of the isolated monolayers. Moreover, hydrogenevolutionreaction is actually realized on the ZnO layer, while oxygen evolution reaction is implemented on the BlueP layer. Through the investigation of the adsorption and dissociation reactions of H2O, we observe that two neighboring H*s prefer to combine to form H2 by overcoming a lowered energy barrier of 0.75 eV. Strain effect indicates that the lateral compressive strain of -4% to 0% and the vertical tensile strain of 0% to +6% can effectively tune band-gap and band alignments. The results indicate that ZnO/BlueP vdW heterostructure is probable highly efficient photoelectric material used for visible-light driven water splitting for hydrogen generation." @default.
- W4229443119 created "2022-05-11" @default.
- W4229443119 creator A5048866632 @default.
- W4229443119 creator A5049213804 @default.
- W4229443119 creator A5058774282 @default.
- W4229443119 creator A5083167888 @default.
- W4229443119 creator A5083579026 @default.
- W4229443119 creator A5084121424 @default.
- W4229443119 date "2022-10-01" @default.
- W4229443119 modified "2023-10-14" @default.
- W4229443119 title "Two-dimensional ZnO/BlueP van der Waals heterostructure used for visible-light driven water splitting: A first-principles study" @default.
- W4229443119 cites W1588887024 @default.
- W4229443119 cites W1690449895 @default.
- W4229443119 cites W1779039046 @default.
- W4229443119 cites W1975192769 @default.
- W4229443119 cites W1979581346 @default.
- W4229443119 cites W1981368803 @default.
- W4229443119 cites W1982086087 @default.
- W4229443119 cites W1991192698 @default.
- W4229443119 cites W2004222877 @default.
- W4229443119 cites W2011619853 @default.
- W4229443119 cites W2019093250 @default.
- W4229443119 cites W2023690880 @default.
- W4229443119 cites W2029281675 @default.
- W4229443119 cites W2031275197 @default.
- W4229443119 cites W2046657839 @default.
- W4229443119 cites W2054836876 @default.
- W4229443119 cites W2058122340 @default.
- W4229443119 cites W2083222334 @default.
- W4229443119 cites W2085093563 @default.
- W4229443119 cites W2092157292 @default.
- W4229443119 cites W2122427541 @default.
- W4229443119 cites W2146902181 @default.
- W4229443119 cites W2155474794 @default.
- W4229443119 cites W2194534706 @default.
- W4229443119 cites W2278682555 @default.
- W4229443119 cites W2293444960 @default.
- W4229443119 cites W2327435728 @default.
- W4229443119 cites W2472022388 @default.
- W4229443119 cites W2475394561 @default.
- W4229443119 cites W2498106012 @default.
- W4229443119 cites W2518939717 @default.
- W4229443119 cites W2553890516 @default.
- W4229443119 cites W2559932361 @default.
- W4229443119 cites W2560867639 @default.
- W4229443119 cites W2793633568 @default.
- W4229443119 cites W2793842271 @default.
- W4229443119 cites W2794237833 @default.
- W4229443119 cites W2794826470 @default.
- W4229443119 cites W2801914108 @default.
- W4229443119 cites W2802812332 @default.
- W4229443119 cites W2811126131 @default.
- W4229443119 cites W2889589576 @default.
- W4229443119 cites W2902718637 @default.
- W4229443119 cites W2922788078 @default.
- W4229443119 cites W2924594991 @default.
- W4229443119 cites W2933929201 @default.
- W4229443119 cites W2945627643 @default.
- W4229443119 cites W2972627505 @default.
- W4229443119 cites W2973530428 @default.
- W4229443119 cites W3000138111 @default.
- W4229443119 cites W3049509105 @default.
- W4229443119 cites W3081481845 @default.
- W4229443119 cites W3100815215 @default.
- W4229443119 cites W3101747384 @default.
- W4229443119 cites W3198435186 @default.
- W4229443119 cites W3200721569 @default.
- W4229443119 doi "https://doi.org/10.1016/j.saa.2022.121359" @default.
- W4229443119 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35569199" @default.
- W4229443119 hasPublicationYear "2022" @default.
- W4229443119 type Work @default.
- W4229443119 citedByCount "7" @default.
- W4229443119 countsByYear W42294431192022 @default.
- W4229443119 countsByYear W42294431192023 @default.
- W4229443119 crossrefType "journal-article" @default.
- W4229443119 hasAuthorship W4229443119A5048866632 @default.
- W4229443119 hasAuthorship W4229443119A5049213804 @default.
- W4229443119 hasAuthorship W4229443119A5058774282 @default.
- W4229443119 hasAuthorship W4229443119A5083167888 @default.
- W4229443119 hasAuthorship W4229443119A5083579026 @default.
- W4229443119 hasAuthorship W4229443119A5084121424 @default.
- W4229443119 hasConcept C104663316 @default.
- W4229443119 hasConcept C126061179 @default.
- W4229443119 hasConcept C135473242 @default.
- W4229443119 hasConcept C147789679 @default.
- W4229443119 hasConcept C159467904 @default.
- W4229443119 hasConcept C161790260 @default.
- W4229443119 hasConcept C17525397 @default.
- W4229443119 hasConcept C178790620 @default.
- W4229443119 hasConcept C181966813 @default.
- W4229443119 hasConcept C185592680 @default.
- W4229443119 hasConcept C192562407 @default.
- W4229443119 hasConcept C32909587 @default.
- W4229443119 hasConcept C35590869 @default.
- W4229443119 hasConcept C41999313 @default.
- W4229443119 hasConcept C49040817 @default.
- W4229443119 hasConcept C512968161 @default.
- W4229443119 hasConcept C52859227 @default.