Eighteen functional monolayer metal oxides: wide bandgap semiconductors with superior oxidation resistance and ultrahigh carrier mobility

Abstract

18 monolayer metals have superior oxidation resistance, wide bandgap, high carrier mobility and notable absorption in the ultraviolet region.

Vacancies and dopants in two-dimensional tin monoxide: An ab initio study

“…Layered metal oxides (LMOs) and their nanoscale derivatives represent an emerging class of compounds in the field of two-dimensional (2D) materials beyond graphene [1]. LMOs are usually air-stable by nature and are composed of non-toxic, earth-abundant elements, making them environmentally desirable and cost-effective for large-scale production [2][3][4]. Held together by weak van der Waals (vdW) interactions, LMO nanosheets can be easily isolated using conventional exfoliation techniques as demonstrated successfully in layered oxides of Ti, Nb, Mn and Co [4][5][6].…”

“…Held together by weak van der Waals (vdW) interactions, LMO nanosheets can be easily isolated using conventional exfoliation techniques as demonstrated successfully in layered oxides of Ti, Nb, Mn and Co [4][5][6]. In the monolayer, a number of such oxides have been identified as widebandgap semiconductors (Eg > 2 eV) with high carrier mobility and strong optical absorption in the UV-vis range [3]. Today, LMOs continue to gain broad research interest due to their versatility for a myriad of applications, including thin-film transistors (TFTs) [7,8], capacitive energy storage [9], optoelectronics [10,11], photocatalytic water splitting [12], and even molecular sensing [13].…”

Can doping of transition metal oxide cathode materials increase achievable voltages with multivalent metals?

“…It should be also noted that spin-orbit coupling has not been included here due to the generally low magnitude of this effect on band edge positions compared to the computed insertion/adsorption energies on the order of at most a few hundred meV. [60][61][62] For a detailed discussion of electronic structure effects in systems such as doped NiO 2 or MoO 3 , however, it might be necessary to take it into account.…”

Density functional theory investigation of mechanical and electronic properties of two-dimensional semiconductors

“…Layered metal oxides (LMOs) and their nanoscale derivatives represent an emerging class of compounds in the field of 2D materials beyond graphene. LMOs are usually airstable by nature and are composed of non-toxic, earth-abundant elements, making them environmentally desirable and cost-effective for large-scale production [125][126][127]. Held together by vdW interactions, LMO nanosheets can be easily isolated using conventional exfoliation techniques as demonstrated successfully in layered oxides of Ti, Nb, Mn and Co [127][128][129].…”

“…Held together by vdW interactions, LMO nanosheets can be easily isolated using conventional exfoliation techniques as demonstrated successfully in layered oxides of Ti, Nb, Mn and Co [127][128][129]. In the monolayer, a number of such oxides have been identified as wide band gap semiconductors (Egap > 2 eV) with high carrier mobility and strong optical absorption in the UV-vis range [126]. Today, LMOs continue to gain broad research interest due to their versatility for a variety of applications, including thin-film transistors (TFTs) [130,131], capacitive energy storage [132], optoelectronics [133,134], photocatalytic water splitting [135], and even molecular sensing [136].…”