Computational synthesis of substrates by crystal cleavage

In order to identify novel substrate materials, we developed a high-throughput bond breaking algorithm. This algorithm takes a three-dimensional crystal as input, systematically...为了识别新型基底材料，我们开发了一种高通量断键算法（high-throughput bond breaking algorithm）。该算法以三维晶体作为输入，系统性地……