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20072026
most citedComputer Modeling of Halogen Bonds and Other -Hole Interactions

653 citations

Showing cond-mat.mtrl-sciShow all

6 papers · 1 filter

cond-mat.mtrl-sci2025★ 8 cited

LOMS.cz: A computational platform for high-throughput Classical and Combinatorial Judd-Ofelt analysis and rare-earth spectroscopy

Jan Hrabovský, Petr Vařák, Robin Kryštůfek

We present LOMS.cz (Luminescence, Optical and Magneto-optical Software), an open-source computational platform that addresses the long-standing challenge of standardizing Judd-Ofel…

cond-mat.mtrl-sci2025★ 74 cited

Roadmap for Photonics with 2D Materials

F. Javier García de Abajo, D. N. Basov, Frank H. L. Koppens +145

Triggered by the development of exfoliation and the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or few atomic layer…

cond-mat.mtrl-sci2023★ 27 cited

Optical, magneto-optical properties and fiber-drawing ability of tellurite glasses in the TeO2-ZnO-BaO ternary system

J. Hrabovsky, L. Strizik, F. Desevedavy +11

The presented work is focused on the optical and magneto-optical characterization of TeO2-ZnO-BaO (TZB) tellurite glasses. We investigated the refractive index and extinction coeff…

cond-mat.mtrl-sci2021★ 21 cited

Extended characterization methods for covalent functionalization of graphene on copper

Petr Kovaříček, Vladimír Vrkoslav, Jan Plšek +4

Graphene is a material of great potential in a broad range of applications, for each of which specific tuning of the materials properties is required. This can be achieved, for exa…

cond-mat.mtrl-sci2016★ 64 cited

Carbon Nitride Frameworks and Dense Crystalline Polymorphs

Chris J. Pickard, Ashkan Salamat, Michael J. Bojdys +2

We used ab initio random structure searching (AIRSS) to investigate polymorphism in C3N4 carbon nitride as a function of pressure. Our calculations reveal new framework structures,…

cond-mat.mtrl-sci2007★ 9 cited

Influence of surface diffusion on catalytic reactivity of spatially inhomogeneous surfaces mean field modeling

Lukasz Cwiklik

Kinetics of model catalytic processes proceeding on inhomogeneous surfaces is studied. We employ an extended mean-field model that takes into account surface inhomogeneities. The i…