Results 131 to 140 of about 764,877 (372)
Dental caries and weight among children in Nuuk, Greenland, at school entry
International Journal of Circumpolar Health, 2017 Objective: To explore the possible association between weight class and prevalence of caries among children born 2005-2007, living in Nuuk, Greenland, at time of school entry. Design: A cross-sectional register study based on data from electronic medical
Signe Sloth Madsen +2 more
doaj +1 more source
Topological Phase Diagram of BiTeX–Graphene Hybrid Structures
Applied Sciences, 2019 Combining graphene with other novel layered materials is a possible way for engineering the band structure of charge carriers. Strong spin-orbit coupling in BiTeX compounds and the recent fabrication of a single layer of BiTeI points towards a feasible ...
Zoltán Tajkov +3 more
doaj +1 more source
Hermitian Symmetric DFT Codes: A New Class of Complex DFT Codes
IEEE Transactions on Signal Processing, 2012 We introduce a new class of real number codes derived from DFT matrix, Hermitian symmetric DFT (HSDFT) codes. We propose a new decoding algorithm based on coding-theoretic as well as subspace based approach. Decoding of HSDFT codes requires only real arithmetic operations and smaller dimension matrices compared to the decoding of the state-of-art real ...
Kumar, A. Anil, Makur, Anamitra
openaire +2 more sources
The DFT+U: Approaches, Accuracy, and Applications
, 2018 This chapter introduces the Hubbard model and its applicability as a corrective tool for accurate modeling of the electronic properties of various classes of systems.
Sarah A. Tolba +4 more
semanticscholar +1 more source
Advanced Functional Materials, EarlyView.This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri +6 more
wiley +1 more source
Advanced Functional Materials, EarlyView.The chemical composition and band alignment are systematically investigated at the TiO2/InP heterointerface. Thin TiO2 films are deposited by ALD on atomically ordered, P‐terminated p‐InP(100). By combining UPS, XPS, and ab initio molecular dynamics, the atomistic structure and electronic alignment are revealed.
Mohammad Amin Zare Pour +11 more
wiley +1 more source
CO adsorption on Cu(111) and Cu(001) surfaces: improving site preference in DFT calculations
, 2004 CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the adsorbate-substrate complex have been calculated.
Andersson +46 more
core +1 more source
Bimetallic Nanoparticles as Cocatalysts for Photocatalytic Hydrogen Production
Advanced Functional Materials, EarlyView.Recent developments have introduced bimetallic nanoparticles as effective cocatalysts for photocatalytic systems. This review explores the rapidly expanding research on bimetallic cocatalysts for photocatalytic production of hydrogen, emphasizing the creation of carrier‐selective contacts, localized surface plasmon resonance effects, methodologies for ...
Yufen Chen +4 more
wiley +1 more source