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Published in 2021 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2021.139128
Abstract: Abstract The observation of superconducting phases in transition metal nitride halides has sparked interest due to its unconventional and not yet fully understood mechanism. These materials have a layered structure, and can be exfoliated into…
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Keywords:
halide monolayers;
charge doping;
zirconium nitride;
zirconium ... See more keywords
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Published in 2018 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.8b04142
Abstract: Electrostatic charge doping in graphene by ferroelectric polarization is an intriguing avenue for graphene-based nanoelectronic devices. Here, on the basis of the thermodynamically stable BiFeO3(00...
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Keywords:
charge doping;
effect surface;
doping graphene;
surface termination ... See more keywords
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Published in 2022 at "Nano letters"
DOI: 10.1021/acs.nanolett.1c04359
Abstract: Missing second-order nonlinearity in centrosymmetric graphene overshadows its intriguing optical attribute. Here, we report redox-governed charge doping could effectively break the centrosymmetry of bilayer graphene (BLG), enabling a strong second harmonic generation (SHG) with a…
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Keywords:
graphene;
redox governed;
charge doping;
bilayer graphene ... See more keywords
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Published in 2017 at "RSC Advances"
DOI: 10.1039/c7ra06431d
Abstract: Using a hybrid density functional theory approach, we have studied the effect of the interaction of a Li atom with a C–H pair vacancy defect (VCH) in a graphane monolayer on the thermodynamic stability, structural,…
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Keywords:
charge doping;
vch;
li1 vch;
occupied states ... See more keywords
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Published in 2018 at "Nanoscale"
DOI: 10.1039/c8nr03230k
Abstract: The recent discovery of ferromagnetic single-layer CrI3 creates ample opportunities for studying the fundamental properties and the spintronic applications of atomically thin magnets. Through first-principles calculations and model Hamiltonian simulations, here we build for the…
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Keywords:
single layer;
phase transition;
charge doping;
cri3 ... See more keywords
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Published in 2020 at "Journal of Applied Physics"
DOI: 10.1063/5.0004547
Abstract: Single phase CuFeO2, CuFe0.96M0.03V0.01O2 (M = Ti, Mn, and Ga), and CuFe0.96V0.04O2 compounds with space group R 3 ¯ m were prepared through a newly developed solid-state technique using annealing under high vacuum. Raman studies demonstrate, for…
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Keywords:
charge doping;
role charge;
distortions structural;
doped samples ... See more keywords
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Published in 2023 at "Molecules"
DOI: 10.3390/molecules28093893
Abstract: In this work, we explore the impacts of charge doping on the magnetism of a Cr2Ge2Te6 monolayer using first-principles calculations. Our results reveal that doping with 0.3 electrons per unit cell can enhance the ferromagnetic…
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Keywords:
cr2ge2te6;
curie temperature;
charge doping;