相关论文: A First-Principles Study of Thiol Ligated CdSe Nan…

Silicon nanocrystals with diameters between 1 and 3 nm and surfaces passivated by chlorine or a mixture of chlorine and hydrogen were modeled using density functional theory, and their properties compared with those of fully hydrogenated…

We present a theoretical description of excitons and positively and negatively charged trions in "giant" CdSe/CdS core-shell nanocrystals (NCs). The developed theory provides the parameters describing the fine structure of excitons in…

The formation of ordered phases of dimethyl-disulfide on the Au(111) surface has been investigated by means of Low-Energy Electron Diffraction (LEED), X-ray Photoemission Spectroscopy (XPS), and state-of-the-art Density Functional Theory…

As emphasized in a recent review article [Chem. Rev. 122, 14180 (2022)], organic solar cell (OSC) photoconversion efficiency has been rapidly evolving with results increasingly comparable to those of traditional inorganic solar cells.…

Multijunction solar cells in a tandem configuration could further lower the costs of electricity if crystalline Si (c-Si) is used as bottom cell. However, for direct monolithic integration on c-Si, only a restricted number of top and bottom…

The selective adsorption of a corrosive gas, SO$_2$, into two microporous pillared paddle-wheel frameworks M(bdc)(ted)0.5 [M = Ni, Zn; bdc = 1,4-benzenedicarboxylate; ted = triethylenediamine] is studied by volumetric adsorption…

The role of ionic interactions between sodium dodecyl sulfate, SDS, and sapphire surfaces have been studied using specular neutron reflection to determine the structure and composition of adsorbed surfactant layers. Increasing the pH of the…

Quantum dot light-emitting diodes (QLEDs) are promising building blocks for prospective lighting and display applications. Despite the significant advancements achieved towards increasing the efficiency and brightness levels of QLEDs, the…

A new analytical expression for the size-dependent bandgap of colloidal semiconductor nanocrystals is proposed within the framework of the finite-depth square-well effective mass approximation in order to provide a quantitative description…

We simulated photovoltaic characteristics of single heterojunction solar cell with Cu2ZnSnS4 and Cu2ZnSnSe4 absorber layer numerically using one dimensional solar cell capacitance simulator (SCAPS-1D). n-CdS/ZnO double buffer layer is used…

We study the chirally imbalanced hot and dense strongly interacting matter by means of the Dyson-Schwinger equations (DSEs). The chiral phase diagram is studied in the presence of chiral chemical potential $\mu_5$. The chiral quark…

We report on a systematic study of the Cd, Zn, Se, and S elemental distributions across the interfaces in CdSe/Cd1-xZnxS core-shell and CdSe/CdS/Cd1-xZnxS core-crown-shell quantum wells with the CdSe core thickness ranging from 3.5 to 5.5…

Structural and charge relaxation of nanoclusters of CdSe of diameter 1-2 nm are studied with first principle calculations. The relaxations cause significant distortions of smaller systems of ~ 1 nm in diameter and have very minimal effect…

The influence of thiol blocking on the resolution of basic proteins by two-dimensional electrophoresis was investigated. Cysteine blocking greatly increased resolution and decreased streaking, especially in the basic region of the gels. Two…

This work presents a foundational approach for fabricating arrays of self-aligned micro- and nanopillar structures incorporating individual site-controlled quantum dots (QDs) for enhanced light extraction. This method leverages the…

The Cu-deficient CuxInSe2 (x larger than 0.3) phase can be stabilized as a thin film. A uniform Cu-deficient composition with a chalcopyrite structure was obtained by the precision engineering of a two-step synthesis process involving…

Single-molecule photoluminescence (PL) spectroscopy of semiconductor nanocrystals (NCs) reveals the nature of exciton-phonon interactions in NCs. Understanding the narrow line shapes at low temperatures and the significant broadening as…

We present evidence of cavity quantum electrodynamics from a sparse density of strongly quantum-confined Pb-chalcogenide nanocrystals (between 1 and 10) approaching single-dot levels on moderately high-Q mesoscopic silicon optical cavities.…

We have studied the structural and electronic properties of defect chalcopyrite semiconductors AAl2Se4 (A = Ag, Cu, Cd, Zn) using Density Functional Theory (DFT) based first principle technique within Tight binding Linear Muffin Tin orbital…

The inherently low photoluminescence (PL) yields in as prepared transition metal dichalcogenide (TMD) monolayers are broadly accepted to be the result of atomic vacancies (i.e. defects) and uncontrolled doping, which give rise to…