National Natural Science Foundation of China [12104136]; National Natural Science Foundation of China [21B0622]; Scientific Research Foundation of Hunan Provincial Education Department [2023JJ30094]; Hunan Provincial Natural Science Foundation of China
机构署名：
本校为第一机构
院系归属：
物理与电子工程学院
摘要：
The Schottky barrier between a metal and a semiconductor plays an important role in determining the transport efficiency of carriers and improving the performance of devices. In this work, we systematically studied the structure and electronic properties of heterostructures of blue phosphorene (BP) in contact with Mo(2)B based on density functional theory. The semiconductor properties of BP are destroyed owing to strong interaction with bare Mo(2)B. The effect of modifying Mo(2)B with O and OH on the contact properties was investigated. A p-type Schottky contact can be obtained in BP/Mo(2)BO(2...
