相关论文: Operando analysis of a solid oxide fuel cell by en…
Organic solar cells (OSCs) have received a special attention over the past years due to their solution processability, low cost, flexibility and capability of role-to-role production. The power conversion efficiency of these devices has…
Thermal equations of state (EoS) are essential in several scientific domains. However, experimental determination of EoS parameters may be limited at extreme conditions, therefore, {\it ab~initio} calculations have become an important…
Using ab-initio calculations within the framework of Density Functional Theory (DFT), atomic structures and electronic properties of MoS2/HfO2 interface are investigated. The impact of interfacial oxygen concentration on the MoS2/HfO2…
Organic/inorganic donor-acceptor interfaces are gaining growing attention in organic photovoltaic applications as each component of the interface offers unique attributes. Here we use hybrid-density functional theory to examine the…
The energetic landscape of charge transfer (CT) states at the interface of electron donating and electron accepting domains in organic optoelectronic devices is crucial for their performance. Central questions -- such as the role of static…
Water management is a key factor that limits PEFC's performance. We show how insights into this problem can be gained from pore-scale simulations of water invasion in a model fibrous medium. We explore the influence of contact angle on the…
Lowering the operating temperature of Solid Oxide Fuel Cells (SOFCs) is essential for improving durability and enabling large scale commercialization. Mixed ionic-electronic conductors (MIECs) of the Ruddlesden-Popper family, such as…
Excitation energy transfer (EET) in an organic/inorganic nanohybrid system, composed of a single \textit{para}-sexiphenyl (6P) molecule physisorbed on a finite-sized MoS$_2$ nanoflake, is investigated theoretically. % The electronic…
A two-dimensional fluid model is used to investigate the electron heating dynamics and the production of neutral species in a capacitively coupled radio-frequency micro atmospheric pressure helium plasma jet -- specifically the COST jet --…
Microfluidics technology offers high efficiency of heat and mass transfer and low safety hazards compared to conventional multiphase processes. The multiphase flow in the microchannels is usually characterized as Taylor flow that includes…
Microstructure properties, phase transitions, and charge ordering in the LuFe2O4 materials have been extensively investigated by means of transmission electron microscopy (TEM). The (001) twins as a common defect frequently appear in the…
Thin films of transition metal oxides open up a gateway to nanoscale electronic devices beyond silicon characterized by novel electronic functionalities. While such films are commonly prepared in an oxygen atmosphere, they are typically…
We report fabrication and characteristics of an organic monolayer based Metal Oxide Semiconductor (MOS) device. In place of SiO2 oxide layer in the MOS configuration, we used 1H, 1H, 2H, 2H- perfluorooctyl trichlorosilane (FOTS)…
The structure-property relation of nanostructured Al-doped ZnO thin films has been investigated in detail through a systematic variation of structure and morphology, with particular emphasis on how they affect optical and electrical…
So far, the efficiency of thermoelectric energy conversion remains low compared to traditional technologies, such as coal or nuclear. This low efficiency can be explained by connecting the thermoelastic properties of the electronic working…
The lithium metal-solid-state electrolyte interface plays a critical role in the performance of solid-state batteries. However, operando characterization of the buried interface morphology in solid-state cells is particularly difficult…
Metal-organic frameworks (MOFs) with ultra-small pores offer an optimal environment to effectively capture guest molecules such as CO2. Subtle local dynamics of their frameworks, either throughout reorientation of functional groups grafted…
Evaluation of effective or macroscopic coefficients of thermal conductivity under coupled heat and moisture transfer is presented. The paper first gives a detailed summary on the solution of a simple steady state heat conduction problem…
We use the one-dimensional object-oriented particle-in-cell Monte Carlo collision code oopd1 to explore the charged particle densities, the electronegativity, the electron energy probability function (EEPF), and the electron heating…
Understanding the relationship between morphology and performance in organic solar cells is essential for developing devices that are both high performing and resilient to aging. This work introduces a unique method capable of calculating…