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• W3088886457 endingPage "155503" @default.
• W3088886457 startingPage "155503" @default.
• W3088886457 abstract "A family of two-dimensional (2D) transition metal borides, referred to as MBenes, is recently emerging as novel materials with great potentials in electronic and energy harvesting applications to the field of materials science and technology. Transition metal borides can be synthesized from chemical exfoliation of ternary-layered transition metal borides, known as MAB phases. Previously it has been predicted that thin pristine 2D Sc-, Ti-, Zr-, Hf-, V-, Nb-, Ta-, Mo-, and W-based transition metal borides with hexagonal phase are more stable than their corresponding orthorhombic phase. Here, using a set of first-principles calculations (at absolute zero temperature), we have examined the geometric, dynamic stability, electronic structures, work function, bond strength, and mechanical properties of the hexagonal monolayer of transition metal borides (M = Sc, Ti, Zr, Hf, V, Nb, Ta, Mo, and W) chemically terminated with F, O, and OH. The results of the formation energies of terminated structures imply that the surface terminations could make a strong bond to the surface transition metals and provide the possibility of the development of transition metal borides with those surface terminations. Except for ScBO, which is an indirect bandgap semiconductor, the other transition metal borides are metallic or semimetal. Particularly, TiBF, ZrBF, and HfBF are metallic systems whose band dispersions close to the Fermi level indicate the coexistence of type-I and type-II nodal lines. Our calculated work functions indicate that 2D transition metal borides with OH (O) functionalization obtain the lowest (highest) work functions. The results of the mechanical properties of the considered structures imply that oxygen functionalized transition metal borides exhibit the stiffest mechanical strength with 248 < E (N m−1) < 348 while non-terminated transition metal borides are generally the weakest systems with 206 < E (N m−1) < 283." @default.
• W3088886457 created "2020-10-01" @default.
• W3088886457 creator A5019635489 @default.
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• W3088886457 date "2021-02-22" @default.
• W3088886457 modified "2023-10-16" @default.
• W3088886457 title "Exploring structural, electronic, and mechanical properties of 2D hexagonal MBenes" @default.
• W3088886457 cites W1009208869 @default.
• W3088886457 cites W1637727845 @default.
• W3088886457 cites W1855075826 @default.
• W3088886457 cites W1964167102 @default.
• W3088886457 cites W1974008195 @default.
• W3088886457 cites W1981368803 @default.
• W3088886457 cites W1981729886 @default.
• W3088886457 cites W1982133696 @default.
• W3088886457 cites W1988080928 @default.
• W3088886457 cites W1989554193 @default.
• W3088886457 cites W1994444120 @default.
• W3088886457 cites W2007395042 @default.
• W3088886457 cites W2018971923 @default.
• W3088886457 cites W2027147151 @default.
• W3088886457 cites W2035206741 @default.
• W3088886457 cites W2036113194 @default.
• W3088886457 cites W2036509527 @default.
• W3088886457 cites W2063591409 @default.
• W3088886457 cites W2064807075 @default.
• W3088886457 cites W2066666085 @default.
• W3088886457 cites W2085093563 @default.
• W3088886457 cites W2088043604 @default.
• W3088886457 cites W2132680135 @default.
• W3088886457 cites W2330394421 @default.
• W3088886457 cites W2340578930 @default.
• W3088886457 cites W2343240592 @default.
• W3088886457 cites W2468094864 @default.
• W3088886457 cites W2507597753 @default.
• W3088886457 cites W2510292900 @default.
• W3088886457 cites W2520314439 @default.
• W3088886457 cites W2520602079 @default.
• W3088886457 cites W2547296803 @default.
• W3088886457 cites W2553212500 @default.
• W3088886457 cites W2574394697 @default.
• W3088886457 cites W2588350539 @default.
• W3088886457 cites W2604049092 @default.
• W3088886457 cites W2608124667 @default.
• W3088886457 cites W2682854665 @default.
• W3088886457 cites W2730259426 @default.
• W3088886457 cites W2736714325 @default.
• W3088886457 cites W2752734081 @default.
• W3088886457 cites W2765318263 @default.
• W3088886457 cites W2765699283 @default.
• W3088886457 cites W2766427879 @default.
• W3088886457 cites W2787079204 @default.
• W3088886457 cites W2791387192 @default.
• W3088886457 cites W2793210032 @default.
• W3088886457 cites W2803023954 @default.
• W3088886457 cites W2807773198 @default.
• W3088886457 cites W2808658925 @default.
• W3088886457 cites W2808991976 @default.
• W3088886457 cites W2883758216 @default.
• W3088886457 cites W2889731579 @default.
• W3088886457 cites W2899804019 @default.
• W3088886457 cites W2910838959 @default.
• W3088886457 cites W2911887713 @default.
• W3088886457 cites W2912286395 @default.
• W3088886457 cites W2919443232 @default.
• W3088886457 cites W2921277895 @default.
• W3088886457 cites W2944833924 @default.
• W3088886457 cites W2945159019 @default.
• W3088886457 cites W2961788980 @default.
• W3088886457 cites W2999659053 @default.
• W3088886457 cites W3002439766 @default.
• W3088886457 cites W3002537119 @default.
• W3088886457 cites W3006833412 @default.
• W3088886457 cites W3007221109 @default.
• W3088886457 cites W3007450025 @default.
• W3088886457 cites W3010927771 @default.
• W3088886457 cites W3098713043 @default.
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• W3088886457 doi "https://doi.org/10.1088/1361-648x/abbb0e" @default.
• W3088886457 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33682685" @default.
• W3088886457 hasPublicationYear "2021" @default.
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