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Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) show increased efficiencies due to efficient upconversion of non-emissive triplet states to emissive singlets states via reverse intersystem…

We predict properties of triplet excited states in single-walled carbon nanotubes (CNTs) using a time-dependent density-functional theory (TD-DFT). We show that the lowest triplet state energy in CNTs to be about 0.2-0.3 eV lower than the…

Materials Science · Physics 2015-06-25 Sergei Tretiak

We report a hidden density-wave instability in the trimer-based ruthenate Ba4Ru3O10, previously regarded as a pure antiferromagnet with a phase transition at TA=100 K. This transition is manifested in lattice parameters, transport,…

The charge transfer compound (BEDT-TTF)$_2$Ag(CF$_3$)$_4$(TCE) crystallizes in three polymorphs with different alternating layers: While a phase with a $\kappa$ packing motif has a low superconducting transition temperature of $T_c=2.6$ K,…

Strongly Correlated Electrons · Physics 2015-06-18 Michaela Altmeyer , Roser Valenti , Harald O. Jeschke

We are demonstrating the optical control of a specific state of the germanium telluride (GeTe) phase change material and its integration as control element for realizing extremely efficient optically reconfigurable THz devices. The…

The unique electrical and optical properties of emerging two-dimensional transition metal dichal-cogenides (TMDs) present compelling advantages over conventional semiconductors, including Si, Ge, and GaAs. Nevertheless, realising the full…

Materials Science · Physics 2025-07-23 Yusuf Kerem Bostan , Elanur Hut , Cem Sanga , Nadire Nayir , Ayse Erol , Yue Wang , Fahrettin Sarcan

The interaction of exciton and charge transfer (CT) states plays a central role in photo-induced CT processes in chemistry, biology and physics. In this work, we use a combination of two-dimensional electronic spectroscopy (2D-ES),…

Transition metal dichalcogenides (TMDCs) usually exhibit layered polytypic structures due to the weak interlayer coupling. 2H-NbSe2 is one of the most widely studied in the pristine TMDC family due to its high superconducting transition…

Superconductivity · Physics 2020-01-08 Dong Yan , Shu Wang , Yishi Lin , Guohua Wang , Yijie Zeng , Mebrouka Boubeche , Yuan He , Jie Ma , Yihua Wang , Dao-Xin Yao , Huixia Luo

Monolayer transition metal dichalcogenides (TMDs) are direct gap semiconductors that hold great promise for advanced applications in photonics and optoelectronics. Understanding the interplay between their radiative and non-radiative…

Radiationless deactivation channels of 2-thiocytosine in aqueous environment are revisited by means of quantum-chemical simulations of excited-state absorption spectra, and investigations of potential energy surfaces of the chromophore…

Chemical Physics · Physics 2018-08-22 Mikołaj J. Janicki , Rafał Szabla , Jiří Šponer , Robert W. Góra

Expanding the operational range of luminescent thermometers that utilize thermally induced structural phase transitions in lanthanide-doped materials necessitates the exploration of novel host matrices with diverse thermal behaviors. In…

The development of high-performance multifunctional polymer-based electronic circuits is a major step towards future flexible electronics. Here, we demonstrate a tunable approach to fabricate such devices based on rationally designed…

We propose a new method for accurately calculating electrical transport properties of a lightly-doped thermoelectric material from density functional theory (DFT) calculations, based on experimental data and density functional theory…

Materials Science · Physics 2014-01-14 Alireza Faghaninia , Cynthia S. Lo

The key factors determining the emission bandwidth of thermally activated delayed fluorescence (TADF) are investi-gated by combining computational and experimental approaches. To achieve high internal quantum efficiencies (IQEs) in…

Chemical Physics · Physics 2021-05-10 Ramin Ansari , Wenhao Shao , Seong-Jun Yoon , Jinsang Kim , John Kieffer

Antibacterial photodynamic therapy (a-PDT) has emerged as a promising non-invasive therapeutic modality that utilizes the combination of a photosensitive agent, molecular oxygen, and excitation light to generate reactive oxygen species…

Low-dimensional transition metal dichalcogenides (TMDC) exhibit great photocatalytic performance and tunability. In this work, using first-principles simulations based on density functional theory (DFT), we demonstrate that external…

Materials Science · Physics 2022-10-06 Zhao Liu , Biao Wang , Claudio Cazorla

The RD50-MPW4, a Depleted Monolithic Active Pixel Sensor (DMAPS) was analyzed using a Two Photon Absortion Transient Current Technique (TPA-TCT). This technique provides sensitivity maps with micrometer-scale spatial resolution, enabling…

The dominant majority of the hundreds of available spin-crossover compounds, including the technologically most promising ones, are based on the Earth-abundant metal iron, making these switches particularly appealing in terms of sustainable…

Other Condensed Matter · Physics 2020-07-24 Latévi Max Lawson Daku , Mark Earl Casida

The blue-green photoluminescence emitted by pure and electron-doped strontium titanate under intense pulsed near-ultraviolet excitation is studied experimentally, as a function of excitation intensity and temperature. Both emission spectra…

Materials Science · Physics 2009-11-24 A. Rubano , D. Paparo , F. Miletto , U. Scotti di Uccio , L. Marrucci

A very promising approach to obtain efficient upconversion of light is the use of triplet-triplet annihilation of excitations in molecular systems. In real materials, besides upconversion, many other physical processes take place -…

Materials Science · Physics 2012-11-22 Jochen Zimmermann , Roberto Mulet , Thomas Wellens , Gregory D. Scholes , Andreas Buchleitner