Matches in SemOpenAlex for { <https://semopenalex.org/work/W2945073864> ?p ?o ?g. }
- W2945073864 abstract "Abstract Point defects at the actual α-Cr2O3/α-Fe2O3 (0001) interface control the passive film's protective properties, and their interaction with hydrogen is a crucial factor, which determines whether possibility of hydrogen damage can be reduced or not. We study the role of point defects in hydrogen damage at α-Cr2O3/α-Fe2O3 (0001) interface using density functional theory. It is found that Cr vacancy and Fe vacancy at the interface trap H with the lowest binding energy −2.908 eV and −2.798 eV, respectively. The solute atoms such as Zn, Ni and Cu at the interface trap H with negative binding energies, in which the minimum binding energy is −1.603 eV for Cu doped interface with H. Alloying elements Al, Ti, V, Mn, Nb and Mo at the interface lead to positive H binding energies, meaning they could not trap H atom. These results confirm that Cr vacancy, Fe vacancy and alloying elements Ni, Cu, and Zn play significant roles in hydrogen damage at the interface of passive films, while alloying elements Mn, Mo, Ti, Nb, Al and V can weaken the possibility of hydrogen damage at the interface of passive films. Our findings provide guiding significance of choosing proper alloying elements to obtain hydrogen damage-resistant steels in industry." @default.
- W2945073864 created "2019-05-29" @default.
- W2945073864 creator A5016678508 @default.
- W2945073864 creator A5036687874 @default.
- W2945073864 creator A5037989560 @default.
- W2945073864 creator A5047620654 @default.
- W2945073864 creator A5059562780 @default.
- W2945073864 creator A5063504385 @default.
- W2945073864 creator A5064215630 @default.
- W2945073864 date "2019-06-01" @default.
- W2945073864 modified "2023-10-13" @default.
- W2945073864 title "Role of point defects in hydrogen damage at α-Cr2O3/α-Fe2O3 (0001) interface" @default.
- W2945073864 cites W1894384596 @default.
- W2945073864 cites W1970127494 @default.
- W2945073864 cites W1975271937 @default.
- W2945073864 cites W1975524295 @default.
- W2945073864 cites W1977276844 @default.
- W2945073864 cites W1979297497 @default.
- W2945073864 cites W1984745033 @default.
- W2945073864 cites W1984844711 @default.
- W2945073864 cites W1986731219 @default.
- W2945073864 cites W1998929680 @default.
- W2945073864 cites W1999216925 @default.
- W2945073864 cites W2004712967 @default.
- W2945073864 cites W2007201322 @default.
- W2945073864 cites W2007225100 @default.
- W2945073864 cites W2008232031 @default.
- W2945073864 cites W2009313927 @default.
- W2945073864 cites W2010011374 @default.
- W2945073864 cites W2019116941 @default.
- W2945073864 cites W2020247945 @default.
- W2945073864 cites W2020627429 @default.
- W2945073864 cites W2020717224 @default.
- W2945073864 cites W2022085321 @default.
- W2945073864 cites W2025234801 @default.
- W2945073864 cites W2038841996 @default.
- W2945073864 cites W2038964660 @default.
- W2945073864 cites W2043842898 @default.
- W2945073864 cites W2044169542 @default.
- W2945073864 cites W2044240073 @default.
- W2945073864 cites W2045466832 @default.
- W2945073864 cites W2051992075 @default.
- W2945073864 cites W2059727874 @default.
- W2945073864 cites W2065082124 @default.
- W2945073864 cites W2071614700 @default.
- W2945073864 cites W2075406992 @default.
- W2945073864 cites W2080469719 @default.
- W2945073864 cites W2082474544 @default.
- W2945073864 cites W2088105837 @default.
- W2945073864 cites W2093352145 @default.
- W2945073864 cites W2094879142 @default.
- W2945073864 cites W2113353077 @default.
- W2945073864 cites W2150687058 @default.
- W2945073864 cites W2163119862 @default.
- W2945073864 cites W2285799487 @default.
- W2945073864 cites W2313334261 @default.
- W2945073864 cites W2592882556 @default.
- W2945073864 cites W2763588282 @default.
- W2945073864 cites W2774487135 @default.
- W2945073864 cites W2775181148 @default.
- W2945073864 cites W2809997469 @default.
- W2945073864 cites W2886204210 @default.
- W2945073864 doi "https://doi.org/10.1016/j.ijhydene.2019.04.279" @default.
- W2945073864 hasPublicationYear "2019" @default.
- W2945073864 type Work @default.
- W2945073864 sameAs 2945073864 @default.
- W2945073864 citedByCount "2" @default.
- W2945073864 countsByYear W29450738642021 @default.
- W2945073864 countsByYear W29450738642022 @default.
- W2945073864 crossrefType "journal-article" @default.
- W2945073864 hasAuthorship W2945073864A5016678508 @default.
- W2945073864 hasAuthorship W2945073864A5036687874 @default.
- W2945073864 hasAuthorship W2945073864A5037989560 @default.
- W2945073864 hasAuthorship W2945073864A5047620654 @default.
- W2945073864 hasAuthorship W2945073864A5059562780 @default.
- W2945073864 hasAuthorship W2945073864A5063504385 @default.
- W2945073864 hasAuthorship W2945073864A5064215630 @default.
- W2945073864 hasConcept C114221277 @default.
- W2945073864 hasConcept C121332964 @default.
- W2945073864 hasConcept C147597530 @default.
- W2945073864 hasConcept C149635348 @default.
- W2945073864 hasConcept C152365726 @default.
- W2945073864 hasConcept C159467904 @default.
- W2945073864 hasConcept C164675345 @default.
- W2945073864 hasConcept C178790620 @default.
- W2945073864 hasConcept C184779094 @default.
- W2945073864 hasConcept C185592680 @default.
- W2945073864 hasConcept C192562407 @default.
- W2945073864 hasConcept C2776640939 @default.
- W2945073864 hasConcept C2781311116 @default.
- W2945073864 hasConcept C41008148 @default.
- W2945073864 hasConcept C512968161 @default.
- W2945073864 hasConcept C58312451 @default.
- W2945073864 hasConcept C8010536 @default.
- W2945073864 hasConcept C93282013 @default.
- W2945073864 hasConceptScore W2945073864C114221277 @default.
- W2945073864 hasConceptScore W2945073864C121332964 @default.
- W2945073864 hasConceptScore W2945073864C147597530 @default.
- W2945073864 hasConceptScore W2945073864C149635348 @default.
- W2945073864 hasConceptScore W2945073864C152365726 @default.