Matches in SemOpenAlex for { <https://semopenalex.org/work/W2067874265> ?p ?o ?g. }
- W2067874265 endingPage "20894" @default.
- W2067874265 startingPage "20894" @default.
- W2067874265 abstract "Using the first-principles calypso algorithm for crystal structure prediction, we have predicted two orthorhombic Cmcm and Amm2 structures of ZrB4, which are energetically much superior to the previously proposed WB4-, CrB4-, and MoB4-type structures and stable against decompression into a mixture of Zr and B at ambient pressure. The two orthorhombic structures consist of a hexagonal B ring and ZrB12 units connected by edges and one hexagonal B ring in Cmcm and Amm2 structure, respectively. The calculated large shear modulus (e.g., 229 GPa) and high hardness (42.8 GPa for Cmcm and 42.6 GPa for Amm2) reveal that they are potentially superhard materials. The high hardness is attributed to a stacking of B–Zr–B “sandwiches” layers linked by strong covalent B–B bonding." @default.
- W2067874265 created "2016-06-24" @default.
- W2067874265 creator A5012745711 @default.
- W2067874265 creator A5032023779 @default.
- W2067874265 creator A5046173951 @default.
- W2067874265 creator A5053408587 @default.
- W2067874265 creator A5057708985 @default.
- W2067874265 creator A5071184842 @default.
- W2067874265 date "2013-01-01" @default.
- W2067874265 modified "2023-10-16" @default.
- W2067874265 title "First-principles structural design of superhard material of ZrB4" @default.
- W2067874265 cites W1624406400 @default.
- W2067874265 cites W1917233200 @default.
- W2067874265 cites W1966812933 @default.
- W2067874265 cites W1970614569 @default.
- W2067874265 cites W1979544533 @default.
- W2067874265 cites W1980461848 @default.
- W2067874265 cites W1981368803 @default.
- W2067874265 cites W1981960537 @default.
- W2067874265 cites W1982133696 @default.
- W2067874265 cites W1984003326 @default.
- W2067874265 cites W1985304771 @default.
- W2067874265 cites W1991209480 @default.
- W2067874265 cites W1996145740 @default.
- W2067874265 cites W2006102096 @default.
- W2067874265 cites W2017999312 @default.
- W2067874265 cites W2036082477 @default.
- W2067874265 cites W2036113194 @default.
- W2067874265 cites W2047660010 @default.
- W2067874265 cites W2048386410 @default.
- W2067874265 cites W2058471563 @default.
- W2067874265 cites W2058545965 @default.
- W2067874265 cites W2063685634 @default.
- W2067874265 cites W2063753021 @default.
- W2067874265 cites W2065586875 @default.
- W2067874265 cites W2068956021 @default.
- W2067874265 cites W2072186630 @default.
- W2067874265 cites W2073531811 @default.
- W2067874265 cites W2083079802 @default.
- W2067874265 cites W2083081382 @default.
- W2067874265 cites W2083222334 @default.
- W2067874265 cites W2094556196 @default.
- W2067874265 cites W2097863725 @default.
- W2067874265 cites W2133927870 @default.
- W2067874265 cites W2137204583 @default.
- W2067874265 cites W2152582037 @default.
- W2067874265 cites W2158299879 @default.
- W2067874265 cites W2163704778 @default.
- W2067874265 cites W2315224087 @default.
- W2067874265 cites W2324880243 @default.
- W2067874265 cites W2333900990 @default.
- W2067874265 doi "https://doi.org/10.1039/c3cp53893a" @default.
- W2067874265 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24196326" @default.
- W2067874265 hasPublicationYear "2013" @default.
- W2067874265 type Work @default.
- W2067874265 sameAs 2067874265 @default.
- W2067874265 citedByCount "49" @default.
- W2067874265 countsByYear W20678742652014 @default.
- W2067874265 countsByYear W20678742652015 @default.
- W2067874265 countsByYear W20678742652016 @default.
- W2067874265 countsByYear W20678742652017 @default.
- W2067874265 countsByYear W20678742652018 @default.
- W2067874265 countsByYear W20678742652019 @default.
- W2067874265 countsByYear W20678742652020 @default.
- W2067874265 countsByYear W20678742652021 @default.
- W2067874265 countsByYear W20678742652022 @default.
- W2067874265 countsByYear W20678742652023 @default.
- W2067874265 crossrefType "journal-article" @default.
- W2067874265 hasAuthorship W2067874265A5012745711 @default.
- W2067874265 hasAuthorship W2067874265A5032023779 @default.
- W2067874265 hasAuthorship W2067874265A5046173951 @default.
- W2067874265 hasAuthorship W2067874265A5053408587 @default.
- W2067874265 hasAuthorship W2067874265A5057708985 @default.
- W2067874265 hasAuthorship W2067874265A5071184842 @default.
- W2067874265 hasConcept C115624301 @default.
- W2067874265 hasConcept C128765274 @default.
- W2067874265 hasConcept C159985019 @default.
- W2067874265 hasConcept C178790620 @default.
- W2067874265 hasConcept C180577832 @default.
- W2067874265 hasConcept C185592680 @default.
- W2067874265 hasConcept C192562407 @default.
- W2067874265 hasConcept C2780378348 @default.
- W2067874265 hasConcept C33347731 @default.
- W2067874265 hasConcept C37243968 @default.
- W2067874265 hasConcept C41279357 @default.
- W2067874265 hasConcept C8010536 @default.
- W2067874265 hasConcept C94406020 @default.
- W2067874265 hasConceptScore W2067874265C115624301 @default.
- W2067874265 hasConceptScore W2067874265C128765274 @default.
- W2067874265 hasConceptScore W2067874265C159985019 @default.
- W2067874265 hasConceptScore W2067874265C178790620 @default.
- W2067874265 hasConceptScore W2067874265C180577832 @default.
- W2067874265 hasConceptScore W2067874265C185592680 @default.
- W2067874265 hasConceptScore W2067874265C192562407 @default.
- W2067874265 hasConceptScore W2067874265C2780378348 @default.
- W2067874265 hasConceptScore W2067874265C33347731 @default.
- W2067874265 hasConceptScore W2067874265C37243968 @default.
- W2067874265 hasConceptScore W2067874265C41279357 @default.