A simulation based (DFT) study is performed on activated 2D-carbon sheet without and with vacancies of central carbon atoms, and explored the electronic properties. The inter-atomic distance at the center of activated carbon sheet is gradually increased with increasing number of vacancies. We get lower binding energy with three vacancies, and higher without a vacancy. A covalent bond is found between C–C atoms, density of states exhibit a semiconductor nature of a system without vacancy, and metallic nature in the presence of vacancies. There are higher peaks of resultant anti-bonding states with three vacancy system and it exhibits higher amorphous nature which causes higher electron concentration, mobility and higher electrical conductivity.

在没有中心碳原子空位和带有中心碳原子空位的活化2D碳片上进行了基于模拟（DFT）的研究，并研究了电子性能。随着空位数量的增加，活性炭薄板中心的原子间距离逐渐增加。在三个空位时，结合能较低，在没有空位时，结合能较高。在C–C原子之间发现了共价键，态密度显示了没有空位的系统的半导体性质，而在存在空位的情况下则表现出金属性质。具有三个空位体系的所得抗键合状态的峰较高，并且表现出较高的非晶态性质，这导致较高的电子浓度，迁移率和较高的电导率。