- Charge transfer effects in (HfNbTiVZr)C—Shown by ab initio calculations and X‐ray photoelectron spectroscopy
2024/07/18 by Barbara Osinger, Luis Casillas‐Trujillo, Rebecka Lindblad +4 · 2 citations
Chemistry · Engineering · #Ab initio #Ab initio quantum chemistry methods #Advanced materials and composites #Atomic physics #Binding energy #Carbide #Chemical bond #Chemical physics #Chemistry #Computational chemistry #Density functional theory #Electronegativity #Electronic structure #High Entropy Alloys Studies #Materials science #Metal and Thin Film Mechanics #Molecule #Nuclear magnetic resonance #Organic chemistry #Physical chemistry #Physics #X-ray photoelectron spectroscopy
- Substitutional and interstitial impurity p-type doping of thermoelectric Mg2Si: a theoretical study
2019/03/12 by Naomi Hirayama, Tsutomu Iida, Mariko Sakamoto +2 · 1 citation
Physics and Astronomy · Materials Science · Chemistry · #Superconductivity in MgB2 and Alloys #Semiconductor materials and interfaces #Iron-based superconductors research #Electronegativity #Doping #Materials science #Thermoelectric effect #Impurity #Dopant #Interstitial defect #Condensed matter physics #Boron #Electrical resistivity and conductivity #Semiconductor #Silicide #Thermoelectric materials #Silicon #Chemistry #Thermodynamics #Metallurgy #Physics #Optoelectronics
- The absolute energy positions of conduction and valence bands of selected semiconducting minerals
2000/03/01 by Yong Xu, Martin A.A. Schoonen, Martin A. A. Schoonen · 37 citations
Chemistry · Energy · Engineering · #Band gap #Catalysis #Chemical physics #Chemistry #Condensed matter physics #Direct and indirect band gaps #Electrochemical Analysis and Applications #Electronegativity #Electronic band structure #Inorganic chemistry #Iron oxide chemistry and applications #Materials science #Metal #Metal Extraction and Bioleaching #Optoelectronics #Oxide #Oxidizing agent #Physics #Quasi Fermi level #Semiconductor #Semimetal #Transition metal #Valence (chemistry)