The modulation of the interface topography in two-dimensional (2D) lateral heterostructure (LHS) is significant for adjusting their electronic properties. However, previous theoretical studies were usually based on dozens of atoms and ignore the irregular interface configurations. In this work, we constructed a series of graphene/hexagonal boron nitride (G/h-BN) LHS of various misorientation angles, with thousands of atoms and uniform atomic proportion. The influence of connecting angles on the electronic properties has been investigated in detail by using real-space density functional theory. Results show that the bandgap can be modified efficiently by changing the connecting angle between graphene and h-BN in LHS, on account of the mixture of diverse interfacial atomic configurations. The wave function characteristics of different interfaces can be interpreted by the strong quantum confinement and gauge field for the edge states. These findings provide a theoretical basis for elucidating the relationship between the atomic construction and electronic properties of planar G/h-BN heterostructures, which could pave a way for further controllable and tunable 2D electronic devices.

二维（2D）横向异质结构（LHS）中界面形貌的调制对于调整其电子特性非常重要。但是，先前的理论研究通常基于数十个原子，并且忽略了不规则的界面构型。在这项工作中，我们构建了一系列的石墨烯/六方氮化硼（G / h-BN）LHS，具有不同的取向差角，具有成千上万的原子和均匀的原子比例。利用实空间密度泛函理论详细研究了连接角对电子性能的影响。结果表明，由于多种界面原子构型的混合，可以通过改变LHS中石墨烯与h-BN之间的连接角来有效地改变带隙。可以通过边缘状态的强量子限制和规范场来解释不同界面的波函数特性。这些发现为阐明平面G / h-BN异质结构的原子结构与电子性质之间的关系提供了理论基础，这可以为进一步控制和可调的2D电子设备铺平道路。