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František Karlický

Showing results (1-10 of 37) with videos related to

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Journal of Chemical Theory and Computation|November 26, 2015
First Step in the Reaction of Zerovalent Iron with WaterFrantišek Karlický, Michal Otyepka
Physical Chemistry Chemical Physics : PCCP|November 7, 2022
The electronic and optical properties of III-V binary 2D semiconductors: how to achieve high precision from accurate many-body methodsMiroslav Kolos, František Karlický
Physical Chemistry Chemical Physics : PCCP|January 20, 2022
DFTB investigations of the electronic and magnetic properties of fluorographene with vacancies and with adsorbed chemical groupsTaoufik Sakhraoui, František Karlický
Journal of Chemical Theory and Computation|November 24, 2015
Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 OrbitalsFrantišek Karlický, Michal Otyepka
Physical Chemistry Chemical Physics : PCCP|February 2, 2019
Accurate many-body calculation of electronic and optical band gap of bulk hexagonal boron nitrideMiroslav Kolos, František Karlický
Physical Chemistry Chemical Physics : PCCP|June 25, 2024
MXene's surface functionalization patterns and their impacts on magnetismBarbora Vénosová, František Karlický
Physical Chemistry Chemical Physics : PCCP|April 16, 2024
Prediction of induced magnetism in 2D Ti<sub>2</sub>C based MXenes by manipulating the mixed surface functionalization and metal substitution computed by xTB model Hamiltonian of the DFTB methodTaoufik Sakhraoui, František Karlický
ACS Omega|November 24, 2025
Electronic and Magnetic Properties of Ordered Double Transition-Metal MXenes: Ti<sub>2</sub>MC<sub>2</sub>T<sub>2</sub> (M = Cr, Mo, and W; T = F, O, OH, and Cl)Taoufik Sakhraoui, František Karlický
Nanoscale Advances|December 7, 2023
Modeling size and edge functionalization of MXene-based quantum dots and their effect on electronic and magnetic propertiesBarbora Vénosová, František Karlický
ACS Omega|November 28, 2022
Electronic Nature Transition and Magnetism Creation in Vacancy-Defected Ti<sub>2</sub>CO<sub>2</sub> MXene under Biaxial Strain: A DFTB + U StudyTaoufik Sakhraoui, František Karlický
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Showing results (1-10 of 37) with videos related to

Sort By:
Pageof 4
Journal of Chemical Theory and Computation|November 26, 2015
First Step in the Reaction of Zerovalent Iron with WaterFrantišek Karlický, Michal Otyepka
Physical Chemistry Chemical Physics : PCCP|November 7, 2022
The electronic and optical properties of III-V binary 2D semiconductors: how to achieve high precision from accurate many-body methodsMiroslav Kolos, František Karlický
Physical Chemistry Chemical Physics : PCCP|January 20, 2022
DFTB investigations of the electronic and magnetic properties of fluorographene with vacancies and with adsorbed chemical groupsTaoufik Sakhraoui, František Karlický
Journal of Chemical Theory and Computation|November 24, 2015
Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 OrbitalsFrantišek Karlický, Michal Otyepka
Physical Chemistry Chemical Physics : PCCP|February 2, 2019
Accurate many-body calculation of electronic and optical band gap of bulk hexagonal boron nitrideMiroslav Kolos, František Karlický
Physical Chemistry Chemical Physics : PCCP|June 25, 2024
MXene's surface functionalization patterns and their impacts on magnetismBarbora Vénosová, František Karlický
Physical Chemistry Chemical Physics : PCCP|April 16, 2024
Prediction of induced magnetism in 2D Ti<sub>2</sub>C based MXenes by manipulating the mixed surface functionalization and metal substitution computed by xTB model Hamiltonian of the DFTB methodTaoufik Sakhraoui, František Karlický
ACS Omega|November 24, 2025
Electronic and Magnetic Properties of Ordered Double Transition-Metal MXenes: Ti<sub>2</sub>MC<sub>2</sub>T<sub>2</sub> (M = Cr, Mo, and W; T = F, O, OH, and Cl)Taoufik Sakhraoui, František Karlický
Nanoscale Advances|December 7, 2023
Modeling size and edge functionalization of MXene-based quantum dots and their effect on electronic and magnetic propertiesBarbora Vénosová, František Karlický
ACS Omega|November 28, 2022
Electronic Nature Transition and Magnetism Creation in Vacancy-Defected Ti<sub>2</sub>CO<sub>2</sub> MXene under Biaxial Strain: A DFTB + U StudyTaoufik Sakhraoui, František Karlický
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