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• W2945159019 abstract "Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB phases, have come under scrutiny as a means of obtaining novel 2D transition metal borides, so-called MBene. Here, based on a set of phonon calculations, we show the dynamic stability of many Al-containing MAB phases, MAlB (M = Ti, Hf, V, Nb, Ta, Cr, Mo, W, Mn, Tc), M$_2$AlB$_2$ (Sc, Ti, Zr, Hf, V, Cr, Mo, W, Mn, Tc, Fe, Rh, Ni), M$_3$Al$_2$B$_2$ (M = Sc, T, Zr, Hf, Cr, Mn, Tc, Fe, Ru, Ni), M$_3$AlB$_4$ (M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, Mn, Fe), and M$_4$AlB$_6$ (M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo). By comparing the formation energies of these MAB phases with those of their available competing binary M$-$B and M$-$Al, and ternary M$-$Al$-$B phases, we find that some of the Sc-, Ti-, V-, Cr-, Mo-, W-, Mn-, Tc-, and Fe-based MAB phases could be favorably synthesized in an appropriate experimental condition. In addition, by examining the strengths of various bonds in MAB phases via crystal orbital Hamilton population and spring constant calculations, we find that the B$-$B and then M$-$B bonds are stiffer than the M$-$Al and Al$-$B bonds. The different strength between these bonds implies the etching possibility of Al atoms from MAB phases, consequently forming various 2D MB, M$_2$B$_3$, and M$_3$B$_4$ MBenes. Furthermore, we employ the nudged elastic band method to investigate the possibility of the structural phase transformation of the 2D MB MBenes into graphene-like boron sheets sandwiched between transition metals and find that the energy barrier of the transformation is less than $0.4$ eV/atom." @default.
• W2945159019 created "2019-05-29" @default.
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• W2945159019 creator A5065217658 @default.
• W2945159019 date "2019-01-01" @default.
• W2945159019 modified "2023-10-17" @default.
• W2945159019 title "Novel MAB phases and insights into their exfoliation into 2D MBenes" @default.
• W2945159019 cites W1784263311 @default.
• W2945159019 cites W1945200104 @default.
• W2945159019 cites W1962164726 @default.
• W2945159019 cites W1964690210 @default.
• W2945159019 cites W1981368803 @default.
• W2945159019 cites W1981729886 @default.
• W2945159019 cites W1982133696 @default.
• W2945159019 cites W1989353136 @default.
• W2945159019 cites W1989554193 @default.
• W2945159019 cites W1996814495 @default.
• W2945159019 cites W2001458106 @default.
• W2945159019 cites W2007395042 @default.
• W2945159019 cites W2013772245 @default.
• W2945159019 cites W2014451195 @default.
• W2945159019 cites W2016383440 @default.
• W2945159019 cites W2027147151 @default.
• W2945159019 cites W2031430816 @default.
• W2945159019 cites W2036113194 @default.
• W2945159019 cites W2037341385 @default.
• W2945159019 cites W2039745721 @default.
• W2945159019 cites W2088043604 @default.
• W2945159019 cites W2113072508 @default.
• W2945159019 cites W2113244806 @default.
• W2945159019 cites W2122427541 @default.
• W2945159019 cites W2138658603 @default.
• W2945159019 cites W2146600796 @default.
• W2945159019 cites W2152152303 @default.
• W2945159019 cites W2282942319 @default.
• W2945159019 cites W2294706179 @default.
• W2945159019 cites W2322232911 @default.
• W2945159019 cites W2324640433 @default.
• W2945159019 cites W2325331960 @default.
• W2945159019 cites W2329545793 @default.
• W2945159019 cites W2340578930 @default.
• W2945159019 cites W2402129417 @default.
• W2945159019 cites W2404226482 @default.
• W2945159019 cites W2522125346 @default.
• W2945159019 cites W2534827974 @default.
• W2945159019 cites W2565050787 @default.
• W2945159019 cites W2588206994 @default.
• W2945159019 cites W2588350539 @default.
• W2945159019 cites W2604049092 @default.
• W2945159019 cites W2604939933 @default.
• W2945159019 cites W2607355538 @default.
• W2945159019 cites W2725699018 @default.
• W2945159019 cites W2730259426 @default.
• W2945159019 cites W2750572535 @default.
• W2945159019 cites W2763666322 @default.
• W2945159019 cites W2765318263 @default.
• W2945159019 cites W2765699283 @default.
• W2945159019 cites W2768088004 @default.
• W2945159019 cites W2787079204 @default.
• W2945159019 cites W2789545633 @default.
• W2945159019 cites W2791331043 @default.
• W2945159019 cites W2791387192 @default.
• W2945159019 cites W2792759879 @default.
• W2945159019 cites W2793210032 @default.
• W2945159019 cites W2794435994 @default.
• W2945159019 cites W2803023954 @default.
• W2945159019 cites W2806950176 @default.
• W2945159019 cites W2808658925 @default.
• W2945159019 cites W2857739523 @default.
• W2945159019 cites W2883758216 @default.
• W2945159019 cites W2884073850 @default.
• W2945159019 cites W2884234140 @default.
• W2945159019 cites W2899238307 @default.
• W2945159019 cites W2899260625 @default.
• W2945159019 cites W2900567006 @default.
• W2945159019 cites W2910838959 @default.
• W2945159019 cites W2911887713 @default.
• W2945159019 cites W2919443232 @default.
• W2945159019 cites W2920452924 @default.
• W2945159019 cites W2921277895 @default.
• W2945159019 cites W2925651048 @default.
• W2945159019 cites W2950663387 @default.
• W2945159019 cites W3099003843 @default.
• W2945159019 cites W3123890503 @default.
• W2945159019 doi "https://doi.org/10.1039/c9nr01267b" @default.
• W2945159019 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31165851" @default.
• W2945159019 hasPublicationYear "2019" @default.
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