50 citations · 235 across the 14 of their papers we have counts for
14 papers
Role of Defects in the Paramagnetism of Fe-doped CsAgBiBr Double Perovskite
Volodymyr Vasylkovskyi, Olga Trukhina, Patrick Dörflinger +6
Transition-metal doping enables the introduction of spin functionality into halide double perovskites, while simultaneously modifying optical properties. Here, we combine controlle…
Mechanistic Origin of Charge Separation and Enhanced Photocatalytic Activity in D--A-Functionalized UiO-66-NH MOFs
Anastasiia Kultaeva, Volodymyr Vasylkovskyi, Andreas Sperlich +4
Donor--acceptor (D--A) functionalization of MOF linkers can enhance visible-light photocatalytic activity, yet the mechanisms responsible for these effects remain unclear. He…
Quantifying Spin Defect Density in hBN via Raman and Photoluminescence Analysis
Atanu Patra, Paul Konrad, Andreas Sperlich +6
Negatively charged boron vacancies () in hexagonal boron nitride (hBN) are emerging as promising solid-state spin qubits due to their optical accessibility, structu…
Intrinsic defects as a source of -type conductivity in CrSBr
Timur Biktagirov, Wolf Gero Schmidt, Karl Jakob Schiller +5
Understanding and controlling native defects is essential for unlocking the full potential of two-dimensional magnetic semiconductors. Here, angle-resolved photoemission spectrosco…
Unveiling Linker-Born Electron Spin Centers in UiO-66-NH2 MOF
Timur Biktagirov, Eugenio Otal, Leopold Trost +6
Metal-organic frameworks (MOFs), with their high porosity and large internal surface area, provide versatile platforms for integrating spin centers with potential applications in c…
Topological Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon Emitters
Timur Biktagirov, Uwe Gerstmann, Wolf Gero Schmidt
We investigate the role of topological defects in exciton behavior in (6,5) semiconducting single-walled carbon nanotubes using density functional theory. Our study identifies the…
Photoinduced Spin Centers in Photocatalytic Metal-Organic Framework UiO-66
Anastasiia Kultaeva, Timur Biktagirov, Andreas Sperlich +4
Metal-Organic frameworks (MOFs) are promising candidates for advanced photocatalytically active materials. These porous crystalline compounds have large active surface areas and st…
Electron-nuclear coherent coupling and nuclear spin readout through optically polarized VB- spin states in hBN
Fadis F. Murzakhanov, Georgy V. Mamin, Sergei B. Orlinskii +8
Coherent coupling of defect spins with surrounding nuclei along with the endowment to read out the latter, are basic requirements for an application in quantum technologies. We sho…
Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits
Timur Biktagirov, Wolf Gero Schmidt, Uwe Gerstmann
An accurate description of the two-electron density, crucial for magnetic coupling in spin systems, provides in general a major challenge for density functional theory calculations…
Investigation of Near-Surface Defects of Nanodiamonds by High-Frequency EPR and DFT Calculation
Zaili Peng, Timur Biktagirov, Franklin H. Cho +2
Nanodiamond (ND) hosting nitrogen-vacancy (NV) centers is a promising platform for quantum sensing applications. Sensitivity of the applications using NV centers in NDs is often li…
ENDOR study of nitrogen hyperfine and quadrupole tensors in vanadyl porphyrins of heavy crude oil
I. N. Gracheva, M. R. Gafurov, G. V Mamin +4
We report the observation of pulsed electron-nuclear double resonance (ENDOR) spectrum caused by interactions of the nitrogen nuclei 14N with the unpaired electron of the paramagne…
In-situ identification of various structural features of vanadyl porphyrins in crude oil by high-field (3.4 T) ENDOR spectroscopy combined with DFT calculations
Timur Biktagirov, Marat Gafurov, Georgy Mamin +3
Structural characterization of metalloporphyrins in complex systems such as native hydrocarbons is in the focus of scientific and industrial interests since many years. We describe…
Phonon Spectrum in Hydroxyapatite: Calculations and EPR Study at Low Temperatures
Timur Biktagirov, Marat Gafurov, Kamila Iskhakova +2
Density functional theory based calculations within the framework of the plane-wave pseudopotential approach are carried out to define the phonon spectrum of hydroxyapatite Ca10(PO…
Nitrogen-Containing Species in the Structure of the Synthesized Hydroxyapatite
Marat Gafurov, Timur Biktagirov, Boris Yavkin +5
Synthesized by the wet chemical precipitation technique hydroxyapatite powders (HAp) with the sizes of the crystallites of (20-50) nm and 1000 nm were analyzed by different analyti…