Ga(1-x)In(x)N(y)As(1-y) is a promising material system for the fabrication of inexpensive "last-mile" optoelectronic components. However, details of its atomic arrangement and the relationship to observed optical properties is not fully known. Particularly, a blueshift of emission wavelength is observed after annealing. In this work, we use x-ray absorption fine structure to study the chemical environment around N atoms in the material before and after annealing. We find that as-grown molecular beam epitaxy material consists of a nearly random distribution of atoms, while postannealed material shows segregation of In toward N. Ab initio simulations show that this short-range ordering creates a more thermodynamically stable alloy and is responsible for blueshifting the emission.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1103/PhysRevLett.90.145505 | DOI Listing |
Environ Sci Technol
January 2025
Institute for Catalysis, Hokkaido University, N-21, W-10, Sapporo 001-0021, Japan.
The effective elimination of NO from automobile exhaust at low temperatures poses significant challenges. Compared to other materials, supported RhO catalysts exhibit high NO decomposition activities, even in the presence of O, CO, and HO. Metal additives can enhance the low-temperature NO decomposition activities over supported RhO catalysts; however, the enhancement mechanism and active sites require further investigation.
View Article and Find Full Text PDFProc Natl Acad Sci U S A
January 2025
Department of Chemical Sciences, Tata Institute of Fundamental Research, Mumbai 400005, India.
Heterogeneous catalysts have emerged as a potential key for closing the carbon cycle by converting carbon dioxide (CO) into value-added chemicals. In this work, we report a highly active and stable ceria (CeO)-based electronically tuned trimetallic catalyst for CO to CO conversion. A unique distribution of electron density between the defective ceria support and the trimetallic nanoparticles (of Ni, Cu, Zn) was established by creating the strong metal support interaction (SMSI) between them.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Dipartimento di Scienze Fisiche e Chimiche, Universita degli Studi dellAquila, Coppito, 67100 L'Aquila, Italy.
We present a comprehensive theoretical study, using state-of-the-art density functional theory simulations, of the structural and electrochemical properties of amorphous pristine and iron-doped nickel-(oxy)hydroxide catalyst films for water oxidation in alkaline solutions, referred to as NiCat and Fe:NiCat. Our simulations accurately capture the structural changes in locally ordered units, as reported by X-ray absorption spectroscopy, when the catalyst films are activated by exposure to a positive potential. We emphasize the critical role of proton-coupled electron transfer in the reversible oxidation of Ni(II) to Ni(III/IV) during this activation.
View Article and Find Full Text PDFChemistry
January 2025
University of Windsor Faculty of Science, Chemistry & Biochemsitry, 401 Sunset Avenue, N9B 3P4, Windsor, CANADA.
Attachment of three different heterocycles with electron donor or acceptor character to a central 1,3,5-triazine core generates readily soluble side-chain free dyes with two displaying soft crystalline mesomorphism and one displaying a nematic liquid crystal phase as confirmed by polarized optical microscopy, calorimetry, gravimetric analysis, and powder X-ray diffraction. Equally intriguing is the dyes' relatively strong electronic communication between donor and acceptor subchromophores that are meta-conjugated to one another, which is experimentally observed as a broad intramolecular charge-transfer absorption that can extend over 100 nm past the most intense absorption event and is computationally confirmed through density functional theory (DFT) evaluations of the molecular ground- and excited-state properties. This molecular design permits the preparation of dyes with panchromatic absorption not just based on the additive absorption of individual subchromophores.
View Article and Find Full Text PDFChemistry
January 2025
Indian Institute of Technology Delhi, Department of Chemistry, Hauz Khas, 110016, New Delhi, INDIA.
A mononuclear CoIII complex (1) of a bisamide-bisalkoxide donor ligand was synthesized and thoroughly characterized. The reaction of 1 with 0.5 equiv.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!