Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis

Two Novel Bi-Based Borate Photocatalysts: Crystal Structure, Electronic Structure, Photoelectrochemical Properties, and Photocatalytic Activity under Simulated Solar Light Irradiation

Mid-Infrared Nonlinear Optical Materials Based on Metal Chalcogenides: Structure–Property Relationship

Analysis and prediction of mid-IR nonlinear optical metal sulfides with diamond-like structures

First-Principles Design and Simulations Promote the Development of Nonlinear Optical Crystals

First-principles materials applications and design of nonlinear optical crystals