Matches in SemOpenAlex for { <https://semopenalex.org/work/W4384700545> ?p ?o ?g. }
- W4384700545 endingPage "110222" @default.
- W4384700545 startingPage "110222" @default.
- W4384700545 abstract "Diamonds hold the potential to revolutionize the development of devices by introducing unique properties into next-generation technologies. However, hydrogen is a prevalent impurity in synthetic diamonds and significantly impacts their mechanical properties. In the present investigation, we proposed to comprehend the effect of hydrogen on the stability of the Σ5 (100) grain boundary in diamond at its electronic level. The results show that the hydrogen concentration significantly affects the grain boundary deformation. By applying the nudged elastic band and periodic energy decomposition analysis, we have uncovered the fundamental principle behind the structural changes during hydrogen molecule dissociation within the grain boundaries, as well as the interactions and bonds that influence the overall properties of the system. Results indicate that the dissociation of hydrogen molecules is achieved without any activation energy. The covalent bond is further explained by attractive orbital interactions of hydrogen atom and dangling bonds present within the void of Σ5 (100) grain boundary in diamond. Examination of the mechanical properties of the grain boundaries revealed that a change in the elasticity of the grain boundaries as the concentration of hydrogen increases. The grain boundary energy calculations indicate that the studied Σ5 (100) grain boundary is stable." @default.
- W4384700545 created "2023-07-20" @default.
- W4384700545 creator A5007260578 @default.
- W4384700545 creator A5022720937 @default.
- W4384700545 creator A5080925030 @default.
- W4384700545 date "2023-10-01" @default.
- W4384700545 modified "2023-10-17" @default.
- W4384700545 title "Envisioning the hydrogen dissociation in Σ5 (100) grain boundary in diamond" @default.
- W4384700545 cites W1560599754 @default.
- W4384700545 cites W1563586153 @default.
- W4384700545 cites W1896802267 @default.
- W4384700545 cites W1964654189 @default.
- W4384700545 cites W1968426044 @default.
- W4384700545 cites W1970127494 @default.
- W4384700545 cites W1970900112 @default.
- W4384700545 cites W1973136600 @default.
- W4384700545 cites W1973537240 @default.
- W4384700545 cites W1973577593 @default.
- W4384700545 cites W1975197155 @default.
- W4384700545 cites W1975330043 @default.
- W4384700545 cites W1981368803 @default.
- W4384700545 cites W1982046251 @default.
- W4384700545 cites W1989997572 @default.
- W4384700545 cites W2001118738 @default.
- W4384700545 cites W2003947754 @default.
- W4384700545 cites W2004421863 @default.
- W4384700545 cites W2006555254 @default.
- W4384700545 cites W2007395042 @default.
- W4384700545 cites W2012940164 @default.
- W4384700545 cites W2016596337 @default.
- W4384700545 cites W2020845494 @default.
- W4384700545 cites W2028017987 @default.
- W4384700545 cites W2030687437 @default.
- W4384700545 cites W2036113194 @default.
- W4384700545 cites W2038368143 @default.
- W4384700545 cites W2040891489 @default.
- W4384700545 cites W2041200383 @default.
- W4384700545 cites W2043555321 @default.
- W4384700545 cites W2043944836 @default.
- W4384700545 cites W2046357493 @default.
- W4384700545 cites W2047064496 @default.
- W4384700545 cites W2058022523 @default.
- W4384700545 cites W2060410316 @default.
- W4384700545 cites W2064903819 @default.
- W4384700545 cites W2068910282 @default.
- W4384700545 cites W2071244000 @default.
- W4384700545 cites W2075736323 @default.
- W4384700545 cites W2076151279 @default.
- W4384700545 cites W2079921142 @default.
- W4384700545 cites W2083222334 @default.
- W4384700545 cites W2083861130 @default.
- W4384700545 cites W2086918619 @default.
- W4384700545 cites W2086957099 @default.
- W4384700545 cites W2087746617 @default.
- W4384700545 cites W2088632644 @default.
- W4384700545 cites W2090285632 @default.
- W4384700545 cites W2091692945 @default.
- W4384700545 cites W2124409742 @default.
- W4384700545 cites W2145065557 @default.
- W4384700545 cites W2150345533 @default.
- W4384700545 cites W2215508082 @default.
- W4384700545 cites W2338378669 @default.
- W4384700545 cites W2522851664 @default.
- W4384700545 cites W2772220099 @default.
- W4384700545 cites W2780973715 @default.
- W4384700545 cites W3036723969 @default.
- W4384700545 cites W3082676997 @default.
- W4384700545 cites W3157048849 @default.
- W4384700545 cites W3168947205 @default.
- W4384700545 cites W4211168088 @default.
- W4384700545 cites W4255389013 @default.
- W4384700545 cites W4293230235 @default.
- W4384700545 cites W4293558648 @default.
- W4384700545 cites W4296619356 @default.
- W4384700545 cites W4376522310 @default.
- W4384700545 doi "https://doi.org/10.1016/j.diamond.2023.110222" @default.
- W4384700545 hasPublicationYear "2023" @default.
- W4384700545 type Work @default.
- W4384700545 citedByCount "0" @default.
- W4384700545 crossrefType "journal-article" @default.
- W4384700545 hasAuthorship W4384700545A5007260578 @default.
- W4384700545 hasAuthorship W4384700545A5022720937 @default.
- W4384700545 hasAuthorship W4384700545A5080925030 @default.
- W4384700545 hasConcept C102931765 @default.
- W4384700545 hasConcept C147789679 @default.
- W4384700545 hasConcept C159467904 @default.
- W4384700545 hasConcept C178790620 @default.
- W4384700545 hasConcept C180577832 @default.
- W4384700545 hasConcept C185592680 @default.
- W4384700545 hasConcept C191897082 @default.
- W4384700545 hasConcept C192562407 @default.
- W4384700545 hasConcept C2776921476 @default.
- W4384700545 hasConcept C32424582 @default.
- W4384700545 hasConcept C47908070 @default.
- W4384700545 hasConcept C512968161 @default.
- W4384700545 hasConcept C87976508 @default.
- W4384700545 hasConceptScore W4384700545C102931765 @default.
- W4384700545 hasConceptScore W4384700545C147789679 @default.