Outputs (686)

Fully depleted emitter layers: a novel method to improve band alignment in thin-film solar cells (2019)
Journal Article

The interface between the emitter and absorber layers in a thin-film solar cell must satisfy two important criteria, namely a small lattice mismatch and electron barrier height. It is shown that the barrier height is lowered when the emitter is fully... Read More about Fully depleted emitter layers: a novel method to improve band alignment in thin-film solar cells.

Elementary excitation in the spin-stripe phase in quantum chains (2019)
Journal Article

Elementary excitations in condensed matter capture the complex many-body dynamics of interacting basic entities in a simple quasiparticle picture. In magnetic systems the most established quasiparticles are magnons, collective excitations that reside... Read More about Elementary excitation in the spin-stripe phase in quantum chains.

Evidence for Self-healing Benign Grain Boundaries and a Highly Defective Sb2Se3–CdS Interfacial Layer in Sb2Se3 Thin-Film Photovoltaics (2020)
Journal Article

The crystal structure of Sb2Se3 gives rise to unique properties that cannot otherwise be achieved with conventional thin-film photovoltaic materials, such as CdTe or Cu(In,Ga)Se2. It has previously been proposed that grain boundaries can be made beni... Read More about Evidence for Self-healing Benign Grain Boundaries and a Highly Defective Sb2Se3–CdS Interfacial Layer in Sb2Se3 Thin-Film Photovoltaics.

Band Offset Models of Three-Dimensionally Bonded Semiconductors and Insulators (2019)
Journal Article

The band offsets of heterojunctions of three-dimensionally (3D) bonded semiconductors lie between two limits, the electron affinity rule (unpinned limit) and the matching of the charge neutrality levels (CNLs), equivalent to the pinned limit. It is s... Read More about Band Offset Models of Three-Dimensionally Bonded Semiconductors and Insulators.

Modeling the Critical Current of Polycrystalline Superconducting Films in High Magnetic Fields (2019)
Journal Article

We have performed simulations using time-dependent Ginzburg–Landau theory on a two-dimensional (2-D) polycrystalline system, where grain boundaries are modeled as narrow regions with a locally reduced critical temperature ( T c ). For the small syste... Read More about Modeling the Critical Current of Polycrystalline Superconducting Films in High Magnetic Fields.

Angular dependence of fast-electron scattering from materials (2020)
Journal Article

Angular resolved scanning transmission electron microscopy is an important tool for investigating the properties of materials. However, several recent studies have observed appreciable discrepancies in the angular scattering distribution between expe... Read More about Angular dependence of fast-electron scattering from materials.

Blue TADF Emitters Based on Indenocarbazole Derivatives with High Photoluminescence and Electroluminescence Efficiencies (2019)
Journal Article

A series of blue thermally activated delayed fluorescence (TADF) emitters were designed and synthesized, using 2,4,6-triphenyl-1,3,5-triazine as the acceptor unit, and indenocarbazole derivatives as the electron-donating moiety. In contrast with othe... Read More about Blue TADF Emitters Based on Indenocarbazole Derivatives with High Photoluminescence and Electroluminescence Efficiencies.

The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence (2019)
Journal Article

In this work we successfully developed a strategy for positively influencing the conformation of thermally activated delayed fluorescence (TADF) molecules containing phenothiazine as the electron donor (D) unit, and dibenzothiophene-S,S-dioxide as th... Read More about The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence.

Intramolecular Dimerization Quenching of Delayed Emission in Asymmetric D-D’-A TADF Emitters (2019)
Journal Article

Understanding the excited-state dynamics and conformational relaxation in thermallyactivated delayed fluorescence (TADF) molecules, including conformations that potentially support intramolecular through-space charge transfer, can open new avenues fo... Read More about Intramolecular Dimerization Quenching of Delayed Emission in Asymmetric D-D’-A TADF Emitters.

Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space (2019)
Journal Article

Flexibility is often a key determinant of protein func- tion. To elucidate the link between their molecular structure and role in an organism, computational techniques such as molecular dynamics can be leveraged to characterize their conformational s... Read More about Coupling Molecular Dynamics and Deep Learning to Mine Protein Conformational Space.

Density-inversion method for the Kohn-Sham potential: role of the screening density (2020)
Journal Article

We present a method to invert a given density and find the Kohn–Sham (KS) potential in Density Functional Theory (DFT) that shares the density. Our method employs the concept of screening density, which is naturally constrained by the inversion proce... Read More about Density-inversion method for the Kohn-Sham potential: role of the screening density.

Unconventional Field-Induced Spin Gap in an S=1/2 Chiral Staggered Chain (2019)
Journal Article

We investigate the low-temperature magnetic properties of the molecule-based chiral spin chain ½CuðpymÞðH2OÞ4SiF6 · H2O (pym ¼ pyrimidine). Electron-spin resonance, magnetometry and heat capacity measurements reveal the presence of staggered g tensor... Read More about Unconventional Field-Induced Spin Gap in an S=1/2 Chiral Staggered Chain.

Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds (2018)
Journal Article

In the presented work, two spectroelectrochemical techniques are discussed as tools for the analysis of the structural changes occurring in the molecule on the vibrational level of energy. Raman and IR spectroelectrochemistry can be used for advanced... Read More about Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds.

Interpreting 750 GeV diphoton excess in plain NMSSM (2016)
Journal Article

NMSSM has enough ingredients to explain the diphoton excess at 750 GeV: singlet-like (pseudo) scalar (a) s and higgsinos as heavy vector-like fermions. We consider the production of the 750 GeV singlet-like pseudo scalar a from a decay of the doublet... Read More about Interpreting 750 GeV diphoton excess in plain NMSSM.

Multifaceted design optimization for superomniphobic surfaces (2019)
Journal Article

Superomniphobic textures are at the frontier of surface design for vast arrays of applications. Despite recent substantial advances in fabrication methods for reentrant and doubly reentrant microstructures, design optimization remains a major challen... Read More about Multifaceted design optimization for superomniphobic surfaces.

Dynamics of aggregated states resolved by gated fluorescence in films of room temperature phosphorescent emitters (2019)
Journal Article

Phenazine derivative molecules were studied using steady state and time resolved fluorescence techniques and demonstrated to lead to strong formation of aggregated species, identified as dimers by time dependent density functional theory calculations... Read More about Dynamics of aggregated states resolved by gated fluorescence in films of room temperature phosphorescent emitters.

Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials (2019)
Journal Article

We expose significant changes in emission color of carbazole-based thermally activated delayed fluorescence (TADF) emitters that arise through the presence of persistent dimer states in thin films and organic light-emitting diodes(OLEDs). Direct phot... Read More about Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.

Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor–Acceptor Systems (2019)
Journal Article

Thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP) are known to occur in organic D–A–D and D–A systems where the donor group contains the phenothiazine unit and the acceptor is dibenzothiophene-S,S-dioxide. Thi... Read More about Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor–Acceptor Systems.

Search for sphalerons in proton-proton collisions (2016)
Journal Article

In a recent paper, Tye and Wong (TW) have argued that sphaleron-induced transitions in high-energy proton-proton collisions should be enhanced compared to previous calculations, based on a construction of a Bloch wave function in the periodic sphaler... Read More about Search for sphalerons in proton-proton collisions.

Radiological emergency dosimetry – The use of luminescent mineral fillers in polymer-based fabrics (2020)
Journal Article

Mineral fillers are widely used in the manufacture of thermoplastics and they are commonly found in the fabrics used to form bags. We show that carbonate mineral filler grains incorporated within faux leather fabrics and the coatings applied to woven... Read More about Radiological emergency dosimetry – The use of luminescent mineral fillers in polymer-based fabrics.