相关论文: Thermal Activation Bottleneck in TADF OLEDs based …

We theoretically study the electronic and the thermal characteristics of Tantalum, Ta, doped Molybdenum disulfide, MoS$_2$, using density functional theory. It has been shown that the MoS$_2$ monolayer is not a good material for…

We propose a unified description of dual radiative heat engines (RHEs), consisting of two facing optoelectronic components (diodes) and capable of generating electrical power from heat. They can operate in three regimes depending on the…

Gas sensors based on transition metal dichalcogenides (TMDCs) have attracted much attention from a new perspective involving light-assisted or gate-voltage operation. However, their combined roles as regards the gas sensing performance and…

Autoionizing resonances that arise from the interaction of a bound single-excitation with the continuum can be accurately captured with the presently used approximations in time-dependent density functional theory (TDDFT), but those arising…

Identifying the microscopic processes that limit conductivity is essential for understanding correlated and quantum-critical states in quantum materials. In twisted bilayer graphene (TBG) and other twist-controlled materials, the…

Semiconductor quantum dots are promising candidates for the generation of nonclassical light. Coupling a quantum dot to a device capable of providing polarization-selective enhancement of optical transitions is highly beneficial for…

The bottleneck in modern thermoelectric power generation and cooling is the low energy conversion efficiency of thermoelectric materials. The detrimental effects of lattice phonons on performance can be mitigated, but achieving a high…

Near-degenerate electronic structures remain a major challenge for conventional single-reference density functional theory (DFT). To address this problem, we propose time-dependent $\Delta$SCF (TD$\Delta$SCF), a novel linear-response scheme…

Sustainable efficient light emitter based solely on elements-of-hope are needed to replace current compounds based on less-abundant materials. Functionalized diamondoids are a potential solution for this challenge as they offer efficient,…

The particle-hole interaction problem is longstanding within time-dependent density functional theory (TDDFT) and leads to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that…

In the event of a tokamak disruption in a D-T plasma, fusion-born alpha particles take several milliseconds longer to thermalise than the background. As the damping rates drop drastically following the several orders of magnitudes drop of…

Singlet fission (SF) can potentially break the Shockley-Queisser efficiency limit in single-junction solar cells by splitting one photo-excited singlet exciton (S1) into two triplets (2T1) in organic semiconductors. A dark multi-exciton…

Concentration quenching is a major impediment to efficient organic light-emitting devices. We herein report on Organic Light-Emitting Diodes (OLEDs) based on a fluorescent amorphous red-emitting starbust triarylamine molecule…

Direct coupling of the fast magnetosonic wave to the electrons has been studied on the tokamak TORE SUPRA. Preliminary experiments were dedicated to optimise the scenario for Fast Wave Electron Heating (FWEH) and Current Drive (FWCD). In a…

We investigate the thermodynamics and transient dynamics of the (unbiased) Ohmic two-state system by exploiting the equivalence of this model to the interacting resonant level model. For the thermodynamics, we show, by using the numerical…

Effect of spin-orbit coupling (SOC) on Dirac electrons in the organic conductor $\alpha$-(BETS)$_2$I$_3$ [BETS = bis(ethylenedithio)tetraselenafulvalene] has been examined by calculating electric conductivity and spin magnetic…

A longstanding open problem in condensed matter physics is whether or not a strongly disordered interacting insulator can be mapped to a system of effectively non-interacting localized excitations. We investigate this issue on the…

This work reports our effort on understanding the efficiency roll-off in blue phosphorescent organic light-emitting diodes (OLEDs), based on a blue phosphorescence from bis(3,5-difluoro-2-(2-pyridyl)phenyl-(2-carboxypyridyl)- iridium…

Exploiting of nonlinearity has opened doors into undiscovered areas for achieving multiplexed performances in recent years. Although efforts have been made to obtain diverse nonlinear architectures at visible frequencies, the room is still…

We calculate the dielectric response of excited crystalline silicon in electron thermal equilibrium by adiabatic time-dependent density functional theory (TDDFT) to model the response to irradiation by high-intensity laser pulses. The real…