随着半导体产业快速发展,电子器件的尺寸已跨入纳米级,使得分子器件的设计和应用成为引导新型半导体材料发展的重要方向。对相关材料与器件进行量子力学的原子级别的模拟显得越来越重要。而二维材料作为新型功能材料最近几年受到了广泛的关注。为此,科学家希望石墨烯以及相关的二维材料制造出的低功耗电子器件能够为电子产业带来生 With the rapid development of the semiconductor industry, the size of electronic devices has entered the nanometer scale, making the design and application of molecular devices an important direction for guiding the development of new semiconductor materials. Atomic level simulations of quantum mechanics related to materials and devices are becoming more and more important. Two-dimensional materials as a new type of functional material in recent years has received widespread attention. To this end, scientists hope that low-power electronic devices made of graphene and related two-dimensional materials will bring students