📄️ Bulk materials
Take Platinum as an example, a series of modeling is performed:
📄️ Slab and surface adsorption
Take Platinum as an example, a series of modeling is performed:
📄️ Two-dimensional materials
Take MoS2 as an example for a series of modeling:
📄️ Heterostructures
It is made of two or more different materials, divided into vertical and transverse heterojunctions, and the lattice mismatch between different materials is required to be$<$ 5%.
📄️ Moiré superlattice structures
Take Moiré bilayer graphene as an example:
📄️ Molecules and disordered structures
1. Build molecules: Click Build→ Sketch Molecule in the menu, draw fragments to describe a molecule. ClickOptimize → Create to put it in a new tab. You can build several molecules and then pack them into one structure, see step 2 below.
📄️ Quantum transport device
Take a device composed of terephthalate thiol (DTB) and two gold electrode surfaces as an example:
📄️ Transition state structure
Take the transition of lithium atoms at the hollow position on graphene as an example: