Abstract
The electronic structure and the corresponding electrical conductive behavior of the Cu/Cr2C/TiN stack were assessed according to a newly developed first-principle model based on density functional theory. Using an additional Cr2C layer provides the metal-like characteristic of the Cu/Cr2C/TiN stack with much larger electrical conduction coefficients (i.e., mobility, diffusivity, and electrical conductivity) than the conventional Ag/Ti3C2/Pt stack due to the lower activation energy. This device is therefore capable of offering faster switching speeds, lower programming voltage, and better stability and durability than the memristor device with conventional Ti3C2 MXene.
Highlights
The recent prosperity of two-dimensional (2D) materials has excited considerable interest in a rapid-growth family of carbides and nitrides of transition metals known as MXenes [1].MXenes materials, formed by selectively etching layers of sp elements from their corresponding three-dimensional (3D) MAX phases, show a variety of compositions and structures leading to the formation of a large and rapidly expanding family of 2D materials [2,3]
The core–valence electron interaction was investigated by using the project-augmented wave (PAW) method [31,32], which is an extension of the augmented wave methods and the pseudo-potential approach
titanium nitride (TiN)(100) atomic layers can be stably combined with the Cr2 C atomic layer, and both Cu(001) and and TiN(100) atomic layers can be stably combined with the Cr
Summary
The recent prosperity of two-dimensional (2D) materials has excited considerable interest in a rapid-growth family of carbides and nitrides of transition metals known as MXenes [1].MXenes materials, formed by selectively etching layers of sp elements from their corresponding three-dimensional (3D) MAX phases, show a variety of compositions and structures leading to the formation of a large and rapidly expanding family of 2D materials [2,3]. Since the discovery of the first MXene (Ti3 C2 Tx ) in 2011 [8], a myriad of MXene compositions have been reported and subjected to intensive study either from experimental or theoretical perspectives [9,10,11] These encouraging experiments clearly reveal numerous exotic properties of MXene such as high negative zea-potential, functionalized surfaces, mechanical properties of transition metal carbides/nitrides, and high electrical conductivity [12]. Because of these advantageous features, MXenes have most recently received widespread applications including in energy storage, biosensors, printable antennas, and topological
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