Matches in SemOpenAlex for { <https://semopenalex.org/work/W3154421808> ?p ?o ?g. }
- W3154421808 endingPage "1133" @default.
- W3154421808 startingPage "1124" @default.
- W3154421808 abstract "Abstract Based on first‐principles calculations, a novel family of two‐dimensional (2D) IV–V compounds, XC 6 (X=N, P, As and Sb), is proposed. These compounds exhibit excellent stability, as determined from the cohesive energies, phonon dispersion analysis, ab initio molecular dynamics (AIMD) simulations, and mechanical properties. In this type of structure, the carbon atom is sp 2 hybridized, whereas the X (N, P, As and Sb) atom is nonplanar sp 3 hybridized with one 2 p z orbital filled with lone pair electrons. NC 6 , PC 6 , AsC 6 and SbC 6 monolayers are intrinsic indirect semiconductors with wide bandgaps of 2.02, 2.36, 2.77, and 2.85 eV (based on HSE06 calculations), respectively. After applying mechanical strain, PC 6 , AsC 6 and SbC 6 monolayers can be transformed from indirect to direct semiconductors. The appropriate bandgaps and well‐located band edge positions make XC 6 monolayers potential materials for photocatalytic water splitting. XC 6 family members also have high absorption coefficients (∼10 5 cm −1 ) in the ultraviolet region and higher electron mobilities (∼10 3 cm 2 V −1 s −1 ) than many known 2D semiconductors." @default.
- W3154421808 created "2021-04-26" @default.
- W3154421808 creator A5025812486 @default.
- W3154421808 creator A5037938340 @default.
- W3154421808 creator A5048973519 @default.
- W3154421808 creator A5079625567 @default.
- W3154421808 creator A5090668308 @default.
- W3154421808 date "2021-05-11" @default.
- W3154421808 modified "2023-10-17" @default.
- W3154421808 title "Structural, Electronic, and Optical Properties of Hexagonal XC 6 (X=N, P, As, and Sb) Monolayers" @default.
- W3154421808 cites W1965355951 @default.
- W3154421808 cites W1972198310 @default.
- W3154421808 cites W1980785526 @default.
- W3154421808 cites W1981053966 @default.
- W3154421808 cites W1981368803 @default.
- W3154421808 cites W1984748172 @default.
- W3154421808 cites W1992808542 @default.
- W3154421808 cites W2007395042 @default.
- W3154421808 cites W2010971702 @default.
- W3154421808 cites W2017196167 @default.
- W3154421808 cites W2026362444 @default.
- W3154421808 cites W2029281675 @default.
- W3154421808 cites W2031985211 @default.
- W3154421808 cites W2041311241 @default.
- W3154421808 cites W2054836876 @default.
- W3154421808 cites W2058122340 @default.
- W3154421808 cites W2070912340 @default.
- W3154421808 cites W2083222334 @default.
- W3154421808 cites W2085093563 @default.
- W3154421808 cites W2115786064 @default.
- W3154421808 cites W2118253891 @default.
- W3154421808 cites W2125284466 @default.
- W3154421808 cites W2161969185 @default.
- W3154421808 cites W2166057940 @default.
- W3154421808 cites W2296756885 @default.
- W3154421808 cites W2312210394 @default.
- W3154421808 cites W2337901954 @default.
- W3154421808 cites W2359959012 @default.
- W3154421808 cites W2411003808 @default.
- W3154421808 cites W2429669491 @default.
- W3154421808 cites W2531901384 @default.
- W3154421808 cites W2562930021 @default.
- W3154421808 cites W2565415475 @default.
- W3154421808 cites W2566310817 @default.
- W3154421808 cites W2574394697 @default.
- W3154421808 cites W2587150223 @default.
- W3154421808 cites W2588543374 @default.
- W3154421808 cites W2603722284 @default.
- W3154421808 cites W2606660854 @default.
- W3154421808 cites W2624929933 @default.
- W3154421808 cites W2773005729 @default.
- W3154421808 cites W2777622401 @default.
- W3154421808 cites W2792530017 @default.
- W3154421808 cites W2794565066 @default.
- W3154421808 cites W2799368749 @default.
- W3154421808 cites W2804657043 @default.
- W3154421808 cites W2885527978 @default.
- W3154421808 cites W2905961118 @default.
- W3154421808 cites W2918721571 @default.
- W3154421808 cites W2944205892 @default.
- W3154421808 cites W2963898484 @default.
- W3154421808 cites W2964898867 @default.
- W3154421808 cites W2966140126 @default.
- W3154421808 cites W2972343613 @default.
- W3154421808 cites W2973482779 @default.
- W3154421808 cites W2982324728 @default.
- W3154421808 cites W2987019393 @default.
- W3154421808 cites W2992759857 @default.
- W3154421808 cites W3006213977 @default.
- W3154421808 cites W3012471664 @default.
- W3154421808 cites W3014454050 @default.
- W3154421808 cites W3028845720 @default.
- W3154421808 cites W3033769339 @default.
- W3154421808 cites W3037515439 @default.
- W3154421808 cites W3045846435 @default.
- W3154421808 cites W3046023538 @default.
- W3154421808 cites W3088946195 @default.
- W3154421808 cites W3091943122 @default.
- W3154421808 cites W3092490391 @default.
- W3154421808 cites W3133307957 @default.
- W3154421808 cites W3136863975 @default.
- W3154421808 cites W832976576 @default.
- W3154421808 doi "https://doi.org/10.1002/cphc.202100055" @default.
- W3154421808 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33871928" @default.
- W3154421808 hasPublicationYear "2021" @default.
- W3154421808 type Work @default.
- W3154421808 sameAs 3154421808 @default.
- W3154421808 citedByCount "0" @default.
- W3154421808 crossrefType "journal-article" @default.
- W3154421808 hasAuthorship W3154421808A5025812486 @default.
- W3154421808 hasAuthorship W3154421808A5037938340 @default.
- W3154421808 hasAuthorship W3154421808A5048973519 @default.
- W3154421808 hasAuthorship W3154421808A5079625567 @default.
- W3154421808 hasAuthorship W3154421808A5090668308 @default.
- W3154421808 hasConcept C108225325 @default.
- W3154421808 hasConcept C147597530 @default.
- W3154421808 hasConcept C149635348 @default.
- W3154421808 hasConcept C171250308 @default.