Matches in SemOpenAlex for { <https://semopenalex.org/work/W4309158152> ?p ?o ?g. }
- W4309158152 endingPage "28313" @default.
- W4309158152 startingPage "28306" @default.
- W4309158152 abstract "It is essential to find a kind of electrocatalyst for hydrogen evolution reduction (HER) comparable with a noble metal that has good conductivity and abundant active sites. Based on systematic searches by first-principles calculations, we discovered two-dimensional transition-metal nitrides, tetra-phase OsN2 and ReN2 monolayers, as potential HER electrocatalysts with superior thermodynamic and kinetic stability. They exhibited excellent catalytic activity due to the presence of multiple active sites with a density of 8 × 1015 site per cm2 and an overpotential close to 0. In addition, we also found that the synergistic effect of strain and coverage makes them have a good hydrogen evolution activity. The ΔGH of the OsN2 monolayer at 1% tensile strain under 3/4 hydrogen coverage is 0.02 eV, and that of ReN2 at 1/2 hydrogen coverage could decrease to 0.001 eV. Different from other common transition metal nitrides, we found that the active sites of OsN2 and ReN2 monolayers are both at nitrogen atoms, which could be further understood by the crystal orbital Hamiltonian population analysis between N and metal atoms. All these interesting findings not only provide new excellent candidates but also provide new insights into the mechanism of hydrogen evolution of nitrides." @default.
- W4309158152 created "2022-11-24" @default.
- W4309158152 creator A5017122859 @default.
- W4309158152 creator A5033565090 @default.
- W4309158152 creator A5050375807 @default.
- W4309158152 creator A5056013587 @default.
- W4309158152 creator A5061294129 @default.
- W4309158152 creator A5075496932 @default.
- W4309158152 creator A5081844561 @default.
- W4309158152 date "2022-01-01" @default.
- W4309158152 modified "2023-10-12" @default.
- W4309158152 title "High excellent hydrogen evolution characteristics and novel mechanism of two-dimensional tetra-phase OsN<sub>2</sub> and ReN<sub>2</sub>" @default.
- W4309158152 cites W2006102096 @default.
- W4309158152 cites W2022714449 @default.
- W4309158152 cites W2023390323 @default.
- W4309158152 cites W2025136035 @default.
- W4309158152 cites W2047644073 @default.
- W4309158152 cites W2092157292 @default.
- W4309158152 cites W2096747776 @default.
- W4309158152 cites W2106855457 @default.
- W4309158152 cites W2144363319 @default.
- W4309158152 cites W2174711004 @default.
- W4309158152 cites W2442474152 @default.
- W4309158152 cites W2467389410 @default.
- W4309158152 cites W2562343651 @default.
- W4309158152 cites W2562841844 @default.
- W4309158152 cites W2591726672 @default.
- W4309158152 cites W2756014083 @default.
- W4309158152 cites W2759360610 @default.
- W4309158152 cites W2763877797 @default.
- W4309158152 cites W2808760842 @default.
- W4309158152 cites W2809377177 @default.
- W4309158152 cites W2889577864 @default.
- W4309158152 cites W2893308647 @default.
- W4309158152 cites W2902208074 @default.
- W4309158152 cites W2913457501 @default.
- W4309158152 cites W2960504072 @default.
- W4309158152 cites W2977506472 @default.
- W4309158152 cites W2998519949 @default.
- W4309158152 cites W3010891261 @default.
- W4309158152 cites W3013971505 @default.
- W4309158152 cites W3017818953 @default.
- W4309158152 cites W3038069912 @default.
- W4309158152 cites W3045810283 @default.
- W4309158152 cites W3087403992 @default.
- W4309158152 cites W3111083819 @default.
- W4309158152 cites W3122793387 @default.
- W4309158152 cites W3126090312 @default.
- W4309158152 cites W3153359524 @default.
- W4309158152 cites W3157873640 @default.
- W4309158152 cites W3175391534 @default.
- W4309158152 cites W3200599137 @default.
- W4309158152 cites W3204336702 @default.
- W4309158152 cites W4206939720 @default.
- W4309158152 cites W4210499692 @default.
- W4309158152 cites W4232009632 @default.
- W4309158152 cites W4241002660 @default.
- W4309158152 doi "https://doi.org/10.1039/d2cp03766a" @default.
- W4309158152 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36383084" @default.
- W4309158152 hasPublicationYear "2022" @default.
- W4309158152 type Work @default.
- W4309158152 citedByCount "0" @default.
- W4309158152 crossrefType "journal-article" @default.
- W4309158152 hasAuthorship W4309158152A5017122859 @default.
- W4309158152 hasAuthorship W4309158152A5033565090 @default.
- W4309158152 hasAuthorship W4309158152A5050375807 @default.
- W4309158152 hasAuthorship W4309158152A5056013587 @default.
- W4309158152 hasAuthorship W4309158152A5061294129 @default.
- W4309158152 hasAuthorship W4309158152A5075496932 @default.
- W4309158152 hasAuthorship W4309158152A5081844561 @default.
- W4309158152 hasConcept C106773901 @default.
- W4309158152 hasConcept C144024400 @default.
- W4309158152 hasConcept C147789679 @default.
- W4309158152 hasConcept C149923435 @default.
- W4309158152 hasConcept C159467904 @default.
- W4309158152 hasConcept C161790260 @default.
- W4309158152 hasConcept C171250308 @default.
- W4309158152 hasConcept C17525397 @default.
- W4309158152 hasConcept C178790620 @default.
- W4309158152 hasConcept C179104552 @default.
- W4309158152 hasConcept C185592680 @default.
- W4309158152 hasConcept C186460083 @default.
- W4309158152 hasConcept C191897082 @default.
- W4309158152 hasConcept C192562407 @default.
- W4309158152 hasConcept C194760766 @default.
- W4309158152 hasConcept C2779227376 @default.
- W4309158152 hasConcept C2908647359 @default.
- W4309158152 hasConcept C33989665 @default.
- W4309158152 hasConcept C41183919 @default.
- W4309158152 hasConcept C512968161 @default.
- W4309158152 hasConcept C52859227 @default.
- W4309158152 hasConcept C544153396 @default.
- W4309158152 hasConcept C7070889 @default.
- W4309158152 hasConcept C8010536 @default.
- W4309158152 hasConceptScore W4309158152C106773901 @default.
- W4309158152 hasConceptScore W4309158152C144024400 @default.
- W4309158152 hasConceptScore W4309158152C147789679 @default.
- W4309158152 hasConceptScore W4309158152C149923435 @default.