Recent progress and future prospects on halide perovskite nanocrystals for optoelectronics and beyond
As an emerging new class of semiconductor nanomaterials, halide perovskite (ABX 3, X= Cl,
Br, or I) nanocrystals (NCs) are attracting increasing attention owing to their great potential in …
Br, or I) nanocrystals (NCs) are attracting increasing attention owing to their great potential in …
Advances in data‐assisted high‐throughput computations for material design
D Xu, Q Zhang, X Huo, Y Wang… - Materials Genome …, 2023 - Wiley Online Library
Extensive trial and error in the variable space is the main cause of low efficiency and high
cost in material development. The experimental tasks can be reduced significantly in the …
cost in material development. The experimental tasks can be reduced significantly in the …
Theoretical prediction and shape-controlled synthesis of two-dimensional semiconductive Ni3TeO6
Current progress in two-dimensional (2D) materials explorations leads to constant specie
enrichments of possible advanced materials down to two dimensions. The metal …
enrichments of possible advanced materials down to two dimensions. The metal …
First-principles study of polar magnets corundum double-oxides Mn2FeMO6 (M= W and Mo)
The physical properties of the corundum double-oxides Mn 2 FeMO 6 (M= W and Mo) are
investigated using density functional theory (DFT). The structure relaxation in different spin …
investigated using density functional theory (DFT). The structure relaxation in different spin …
Ferroelectric, electronic and magnetic properties of Mn2ScMO6 (M = Nb, Ta) double corundum oxides via first principles
Polar magnetic oxides are technologically of great interest due to their promising
applications in futuristic electronic devices, but they are very rare due to the co-existence of …
applications in futuristic electronic devices, but they are very rare due to the co-existence of …
Methodological Approach to the High-Pressure Synthesis of Nonmagnetic Li2B4+B′6+O6 Oxides
MH Zhao, C Zhu, Z Sun, T Xia, Y Han, Y Zeng… - Chemistry of …, 2021 - ACS Publications
High-pressure solid-state synthesis advances boost discoveries of new materials and
unusual phenomena but endures stringent recipe conditions, poor yield, and high cost. A …
unusual phenomena but endures stringent recipe conditions, poor yield, and high cost. A …
Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure
Z Sun, J Yang, Y Han, MR Li - Chemistry of Materials, 2024 - ACS Publications
Harsh synthetic conditions and high cost seriously hinder the discoveries of metastable
materials under extreme conditions. Extending the big-data-driven high-throughput …
materials under extreme conditions. Extending the big-data-driven high-throughput …
Robust yellow-violet pigments tuned by site-selective manganese chromophores
The rational design of multifunctional inorganic pigments relies on the manipulation of ionic
valence and local surroundings of a chromophore in structurally and chemically habitable …
valence and local surroundings of a chromophore in structurally and chemically habitable …
Thermochemical Properties of High Pressure Neodymium Monoxide
Neodymium monoxide (NdO) is a metastable rare earth oxide material with a unique
electronic structure, which has potential applications across various fields such as …
electronic structure, which has potential applications across various fields such as …
Comparative Study on the Magnetic and Transport Properties of B-Site Ordered and Disordered CaCu3Fe2Os2O12
X Wang, Z Liu, H Deng, S Agrestini, K Chen… - Inorganic …, 2022 - ACS Publications
The B-site Fe/Os ordered and disordered quadruple perovskite oxides CaCu3Fe2Os2O12
were synthesized under different high-pressure and high-temperature conditions. The B-site …
were synthesized under different high-pressure and high-temperature conditions. The B-site …