First demonstration of possible two-dimensional MBene CrB derived from MAB phase Cr2AlB2

Zhang, Haiming; Xiang, Huimin; Dai, Fu‐Zhi; Zhang, Zhili; Zhou, Yanchun

doi:10.1016/j.jmst.2018.02.024

Cited by 155 publications

(77 citation statements)

References 28 publications

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“…OH, F, O), thereby degrading the catalytic activity 27 – 29 . Recently, several 2D transition metal borides (MBenes), which are boron analogs of MXenes, have also been realized experimentally 30 – 33 . In contrast to MXenes, MBenes can be stabilized without the presence of surface passivation groups.…”

Section: Introductionmentioning

confidence: 99%

Electrochemical synthesis of urea on MBenes

et al. 2021

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Urea is an important raw material in the chemical industry and is widely used as a nitrogen source in chemical fertilizers. The current industrial urea synthesis not only requires harsh reaction conditions, but also consumes most of the NH3 obtained through artificial synthesis. The conversion of N2 and CO2 into urea through electrochemical reactions under ambient conditions represents a novel green urea synthesis method. However, the large-scale promotion of this method is limited by the lack of suitable electrocatalysts. Here, by means of density functional theory computations, we systematically study the catalytic activity of three experimentally available two-dimensional metal borides (MBenes), Mo2B2, Ti2B2, and Cr2B2 toward simultaneous electrocatalytic coupling of N2 and CO2 to produce urea under ambient conditions. According to our results, these three MBenes not only have superior intrinsic basal activity for urea formation, with limiting potentials ranging from −0.49 to −0.65 eV, but also can significantly suppress the competitive reaction of N2 reduction to NH3. In particular, 2D Mo2B2 and Cr2B2 possess superior capacity to suppress surface oxidation and self-corrosion under electrochemical reaction conditions, rendering them relatively promising electrocatalysts for urea production. Our work paves the way for the electrochemical synthesis of urea.

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Section: Introductionmentioning

confidence: 99%

Electrochemical synthesis of urea on MBenes

et al. 2021

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“…[7][8][9][10][11] Moreover, there are some experimental and theoretical signs that boron can be used as X element to synthesis MAX phases with nonconventional chemical formula. [12][13][14][15][16][17][18] For instance, Ti 2 InB 2 with hexagonal symmetry has been first predicted and then synthesized recently. 17 The relatively weaker strength of the M-A bonds than that of the M-X bonds 19 provides a promotion condition to etch the A-layer by chemical treatment to form 2D MXenes.…”

Section: Introductionmentioning

confidence: 99%

“…27,28 More recently, some ternary borides as analogous to the MAX phases are familiarized by introducing B as the X element, known as MAB phases. [12][13][14][15][16][17][18] Similar to the MAX phases, where the 2D MXenes are obtained by etching of A-element layers, the 2D transition metal borides are made by washing out A elements from the MAB phases, known as MBenes. [12][13][14][15][16][17][18] For instance, 2D CrB, 16,18 , and MoB 13,14 MBenes were made by etching A-element layers of the MAB phases Cr 2 AlB 2 and MoAlB, respectively.…”

Section: Introductionmentioning

confidence: 99%

Exploring structural, electronic, and mechanical properties of 2D hexagonal MBenes

Khaledialidusti

Khazaei

Wang

et al. 2021

J. Phys.: Condens. Matter

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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

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“…The Cr 2 AlB 2 powders were fully immersed in HCl solution, followed by washing and collecting the resulting suspension. 80,81 The main drawbacks of the technique lie in the difficulty of obtaining the ternary boride precursor and inefficiency of removing the A-layer from the precursor structure.…”

Section: Precursor-directed Routementioning

confidence: 99%