Defects and Dopants in CaFeSi2O6: Classical and DFT Simulations
Calcium (Ca)-bearing minerals are of interest for the design of electrode materials required for rechargeable Ca-ion batteries. Here we use classical simulations to examine defect, dopant and transport properties of CaFeSi2O6.
Navaratnarajah Kuganathan +1 more
doaj +1 more source
Single-Electron Transport through Single Dopants in a Dopant-Rich Environment [PDF]
We show that single-electron transport through a single dopant can be achieved even in a random background of many dopants without any precise placement of individual dopants. First, we observe potential maps of a phosphorus-doped channel by low-temperature Kelvin probe force microscopy, and demonstrate potential changes due to single-electron trapping
Michiharu, Tabe +6 more
openaire +2 more sources
Impact of precisely positioned dopants on the performance of an ultimate silicon nanowire transistor: a full three-dimensional NEGF simulation study [PDF]
In this paper, we report the first systematic study of quantum transport simulation of the impact of precisely positioned dopants on the performance of ultimately scaled gate-all-around silicon nanowire transistors (NWTs) designed for digital circuit ...
Asenov, A., Georgiev, V.P., Towie, E.A.
core +1 more source
Exact location of dopants below the Si(001):H surface from scanning tunnelling microscopy and density functional theory [PDF]
Control of dopants in silicon remains the most important approach to tailoring the properties of electronic materials for integrated circuits, with Group V impurities the most important n-type dopants.
Bowler, David R. +7 more
core +2 more sources
Sublattice asymmetry of impurity doping in graphene: A review [PDF]
In this review we highlight recent theoretical and experimental work on sublattice asymmetric doping of impurities in graphene, with a focus on substitutional Nitrogen dopants.
Ferreira, Mauro S., Lawlor, James A.
core +2 more sources
Reversing stealthy dopant-level circuits [PDF]
A successful detection of the stealthy dopant-level circuit trojan, proposed by Becker et al. at CHES 2013 [1], is reported. Contrary to an assumption made by Becker et al., dopant types in active region are visible with either scanning electron microscopy SEM or focused ion beam FIB imaging.
Takeshi Sugawara +6 more
openaire +2 more sources
Intrinsic Defects, Diffusion and Dopants in AVSi2O6 (A = Li and Na) Electrode Materials
The alkali metal pyroxenes of the AVSi2O6 (A = Li and Na) family have attracted considerable interest as cathode materials for the application in Li and Na batteries.
Navaratnarajah Kuganathan
doaj +1 more source
Defect Properties and Lithium Incorporation in Li2ZrO3
Lithium zirconate is a candidate material in the design of electrochemical devices and tritium breeding blankets. Here we employ an atomistic simulation based on the classical pair-wise potentials to examine the defect energetics, diffusion of Li-ions ...
Kobiny Antony Rex +3 more
doaj +1 more source
Aliovalent doping of CeO2 : DFT study of oxidation state and vacancy effects [PDF]
The modification of CeO2 properties by means of aliovalent doping is investigated within the ab-initio density functional theory framework. Lattice parameters, dopant atomic radii, bulk moduli and thermal expansion coefficients of fluorite type Ce1−xMxO2−
Bultinck, Patrick +4 more
core +2 more sources
Computational Investigation of a NASICON-Type Solid Electrolyte Material LiGe2(PO4)3
Phosphate-based electrolyte materials are of great interest in the field of Li-ion batteries due to their rigid structural integrity. LiGe2(PO4)3 is a NASICON-type phosphate material with high thermal and electrochemical stability.
Navaratnarajah Kuganathan +2 more
doaj +1 more source

