František Karlický

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 17

Top Topics

Density Functional Theory

Molecularly Imprinted

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

Nanoscale advances

Environmental science & technology

This page only lists publications with an associated author ORCID identifier.

Publications

Taoufik Sakhraoui, František Karlický
Prediction of induced magnetism in 2D Ti 2 C based MXenes by manipulating the mixed surface functionalization and metal substitution computed by xTB model Hamiltonian of the DFTB method. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Barbora Vénosová, František Karlický
MXene's surface functionalization patterns and their impacts on magnetism. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Barbora Vénosová, František Karlický
MXene's surface functionalization patterns and their impacts on magnetism. Physical chemistry chemical physics : PCCP (2024)
Taoufik Sakhraoui, František Karlický
Prediction of induced magnetism in 2D Ti 2 C based MXenes by manipulating the mixed surface functionalization and metal substitution computed by xTB model Hamiltonian of the DFTB method. Physical chemistry chemical physics : PCCP 26 (16) (2024)
Jiří Kalmár, František Karlický
Mn 2 C MXene functionalized by oxygen is a semiconducting antiferromagnet and an efficient visible light absorber. Physical chemistry chemical physics : PCCP (2024)
Barbora Vénosová, František Karlický
MXene's surface functionalization patterns and their impacts on magnetism. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Jiří Kalmár, František Karlický
Mn 2 C MXene functionalized by oxygen is a semiconducting antiferromagnet and an efficient visible light absorber. Physical chemistry chemical physics : PCCP 26 (29) (2024)
Taoufik Sakhraoui, František Karlický
Prediction of induced magnetism in 2D Ti 2 C based MXenes by manipulating the mixed surface functionalization and metal substitution computed by xTB model Hamiltonian of the DFTB method. Physical chemistry chemical physics : PCCP (2024)
Matúš Dubecký, Stanislav Minárik, František Karlický
Benchmarking fundamental gap of Sc 2 C(OH) 2 MXene by many-body methods. The Journal of chemical physics 158 (5) (2023)
Barbora Vénosová, František Karlický
Modeling size and edge functionalization of MXene-based quantum dots and their effect on electronic and magnetic properties. Nanoscale advances 5 (24) (2023)
Michal Novotný, Matúš Dubecký, František Karlický
Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride. Journal of computational chemistry (2023)
Taoufik Sakhraoui, František Karlický
DFTB investigations of the electronic and magnetic properties of fluorographene with vacancies and with adsorbed chemical groups. Physical chemistry chemical physics : PCCP 24 (5) (2022)
Taoufik Sakhraoui, František Karlický
Electronic Nature Transition and Magnetism Creation in Vacancy-Defected Ti 2 CO 2 MXene under Biaxial Strain: A DFTB + U Study. ACS omega 7 (46) (2022)
Miroslav Brumovský, Jana Oborná, Vesna Micić, Ondřej Malina, Josef Kašlík, Daniel Tunega, Miroslav Kolos, Thilo Hofmann, František Karlický, Jan Filip
Iron Nitride Nanoparticles for Enhanced Reductive Dechlorination of Trichloroethylene. Environmental science & technology 56 (7) (2022)
Miroslav Kolos, František Karlický
The electronic and optical properties of III-V binary 2D semiconductors: how to achieve high precision from accurate many-body methods. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Tomi Ketolainen, Nikola Macháčová, František Karlický
Optical Gaps and Excitonic Properties of 2D Materials by Hybrid Time-Dependent Density Functional Theory: Evidences for Monolayers and Prospects for van der Waals Heterostructures. Journal of chemical theory and computation 16 (9) (2020)
František Karlický, Eva Otyepková, Rabindranath Lo, Michal Pitoňák, Petr Jurečka, Martin Pykal, Pavel Hobza, Michal Otyepka
Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite. Journal of chemical theory and computation 13 (3) (2017)