Design and exploration of semiconductors from first principles: A review of recent advances
Recent first-principles approaches to semiconductors are reviewed, with an emphasis on
theoretical insight into emerging materials and in silico exploration of as-yet-unreported …
theoretical insight into emerging materials and in silico exploration of as-yet-unreported …
Ternary nitride materials: Fundamentals and emerging device applications
AL Greenaway, CL Melamed… - Annual Review of …, 2021 - annualreviews.org
Interest in inorganic ternary nitride materials has grown rapidly over the past few decades,
as their diverse chemistries and structures make them appealing for a variety of applications …
as their diverse chemistries and structures make them appealing for a variety of applications …
A map of the inorganic ternary metal nitrides
Exploratory synthesis in new chemical spaces is the essence of solid-state chemistry.
However, uncharted chemical spaces can be difficult to navigate, especially when materials …
However, uncharted chemical spaces can be difficult to navigate, especially when materials …
Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination
IV-VI2 ternary chalcogenides are gaining attention as earth-abundant, nontoxic, and air-
stable absorbers for photovoltaic applications. However, the semiconductors explored thus …
stable absorbers for photovoltaic applications. However, the semiconductors explored thus …
The 2019 materials by design roadmap
Advances in renewable and sustainable energy technologies critically depend on our ability
to design and realize materials with optimal properties. Materials discovery and design …
to design and realize materials with optimal properties. Materials discovery and design …
Cation‐Disorder Engineering Promotes Efficient Charge‐Carrier Transport in AgBiS2 Nanocrystal Films
Efficient charge‐carrier transport is critical to the success of emergent semiconductors in
photovoltaic applications. So far, disorder has been considered detrimental for charge …
photovoltaic applications. So far, disorder has been considered detrimental for charge …
Experimental synthesis of theoretically predicted multivalent ternary nitride materials
Multivalent ternary nitride materials, which combine two metal cations with a nitrogen anion
in equal amounts and charge balanced stoichiometry, tend to have relatively simple …
in equal amounts and charge balanced stoichiometry, tend to have relatively simple …
Accurate prediction of oxygen vacancy concentration with disordered A-site cations in high-entropy perovskite oxides
Entropic stabilized ABO3 perovskite oxides promise many applications, including the two-
step solar thermochemical hydrogen (STCH) production. Using binary and quaternary A-site …
step solar thermochemical hydrogen (STCH) production. Using binary and quaternary A-site …
Interplay of Static and Dynamic Disorder in the Mixed-Metal Chalcohalide Sn2SbS2I3
Chalcohalide mixed-anion crystals have seen a rise in interest as “perovskite-inspired
materials” with the goal of combining the ambient stability of metal chalcogenides with the …
materials” with the goal of combining the ambient stability of metal chalcogenides with the …
Zinc titanium nitride semiconductor toward durable photoelectrochemical applications
Photoelectrochemical fuel generation is a promising route to sustainable liquid fuels
produced from water and captured carbon dioxide with sunlight as the energy input …
produced from water and captured carbon dioxide with sunlight as the energy input …