Orbital symmetry matching: Achieving superior nitrogen reduction reaction over single-atom catalysts anchored on Mxene substrates

Rational design of M–N4–Gr/V2C heterostructures as highly active ORR catalysts: a density functional theory study

“… 14 To further motivate the catalytic activity of single atom-doped N-liganded graphene as an active site, we formed heterostructures of M-doped N-liganded graphene with V 2 C. The synthesis of such heterostructures is feasible, as recent experiments generated MoC 2 films directly on the graphene surface via chemical deposition as well as on the graphene nanoribbons. 24 The distance between our designed graphene and V 2 C heterostructure is 2.1 Å ( Fig. 1b ) and resulted in an energy of −10.13 eV, indicating strong coupling between the interfaces.…”

“…2D MXenes with abundant nonmetallic groups include a graphene layer stabilized by the strong interaction forces of nitrogen coordination, which not only modulates the catalytic properties of the selected transition metals but also affects the intrinsic activity of the 2D MXenes. 22–25 Constructing heterogeneous structures is a powerful strategy for designing high-performance materials, where phenomena such as charge transfer can be observed. 26,27 Geng et al synthesized a large-area Mo 2 C/MXene on graphene templates, 28 and this heterogeneous structure was highly active for electrocatalysis via the hydrogen evolution reaction (HER) with a lower starting voltage than that of Mo 2 C-only electrodes.…”

MXenes as Superexcellent Support for Confining Single Atom: Properties, Synthesis, and Electrocatalytic Applications

“…Apart from the abovementioned, single atom infused on MXene support is also deemed as a satisfying method to modulate the electronic property, thereby enhancing the catalytic activity. [ 65,66 ] For example, Wang and co‐workers anchored single atom Pt into Mo 2 TiC 2 T X MXene with abundant Mo vacancy for high‐efficiency electrocatalytic HER. The result displayed that immobilizing isolated atom Pt into Mo vacancy of Mo 2 TiC 2 T X could lead to a redistribution of the electronic structure, thereby causing an enhanced electron environment for HER process.…”

Electrochemical Impedance Spectroscopy on 2D Nanomaterial MXene Modified Interfaces: Application as a Characterization and Transducing Tool

“…To date, 20+ different MXene compositions have been synthesized, comprised of Ti 3 C 2 T x , Ti 2 CT x , Ti 2 NT, Mo 2 CT x , and/or Nb 4 C 3 T x [25], 70 varieties of MAX phases have been investigated, and more MAX phases are predicted [2]. In the last 10 years, MXenes have become a very attractive material for use in a variety of applications, including biosensors [26,27], sensors with improved electrocatalytic activity [4,[28][29][30], wearable sensors [31][32][33][34], MXene-based flexible microelectrode arrays for recording of neural activity [35,36], biomedical applications [37,38], energy storage technologies [39], supercapacitors [40], batteries [41], hydrogen storage devices [42], catalytic devices [43], photocatalysts [44], field-effect transistors [45], water purification systems [46], devices for environmental remediation [47], and, in addition, due to their outstanding conductivity [48], they have been employed as an electromagnetic shielding material [49].…”