Browsing Chemistry by Subject "Defects"
Now showing items 1-4 of 4
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Electrochemical Detection of Isolated Nanoscale Defects in 2D Transition Metal Dichalcogenides
(2022)We show that nanometer and sub-nanometer scale defects in two-dimensional transition metal dichalcogenides can be detected electrochemically using scanning electrochemical cell microscopy (SECCM). We detect isolated anomalous ... -
Low-humidity sensing properties of multi-layered graphene grown by chemical vapor deposition
(2020)Humidity sensing is fundamental in some applications, as humidity can be a strong interferent in the detection of analytes under environmental conditions. Ideally, materials sensitive or insensitive towards humidity are ... -
Polaronic trapping of electrons and holes by native defects in anatase TiO2
(2009)We have investigated the formation of native defects in anatase TiO2 using density functional theory DFT modified with on-site Coulomb terms DFT+U applied to both Ti d and O p states. Oxygen vacancies and titanium ... -
Understanding and tuning the intrinsic hydrophobicity of rare-earth oxides: A DFT+U study
(2016)Rare-Earth Oxides (REOs) possess a remarkable intrinsic hydrophobicity, making them candidates for a myriad of applications. Although the superhydrophobicity of REOs has been explored experimentally, the atomistic details ...