题目: Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

题目: Band degeneracy enhanced thermoelectric performance in layered oxyselenides by first-principles calculations

题目: Intercalated architecture of MA2Z4 family layered van der Waals materials with emerging topological, magnetic and superconducting properties

题目: Designing of magnetic MAB phases for energy applications

题目: Half-Heusler alloys: Enhancement of ZT after severe plastic deformation (ultra-low thermal conductivity)

题目: An accelerating approach of designing ferromagnetic materials via machine learning modeling of magnetic ground state and Curie temperature

题目: The thermal and electrical transport properties of layered LaCuOSe under high pressure

题目: Sequence-Engineering Polyethylene–Polypropylene Copolymers with High Thermal Conductivity Using a Molecular-Dynamics-Based Genetic Algorithm

题目: Layered LaCuOSe: A Promising anisotropic Thermoelectric Material

题目: Thermal Energy Transport across the Interface between Phase Change Material n-Heneicosane in Solid and Liquid Phases and Few-Layer Graphene

题目: Optimizing the thermoelectric transport properties of Bi2O2Se monolayer via biaxial strain

题目: Predicted Electrocatalyst Properties on Metal Insulator MoTe2 for Hydrogen Evolution Reaction and Oxygen Reduction Reaction Application in Fuel Cells

题目: Computational design of flexible electrides with nontrivial band topology

题目: How Alcoholic Disinfectants Affect Coronavirus Model Membranes: Membrane Fluidity, Permeability, and Disintegration

题目: Thermal conductivity of h-BN monolayers using machine learning interatomic potential