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In this work, thin composite films of zeolitic imidazolate frameworks (ZIFs) and colloidal two-dimensional (2D) core-crown CdSe/CdS nanoplatelet (NPL) emitters with minimal scattering are formed by a cycled growth method and yield highly transparent coatings with strong and narrow photoluminescence of the NPLs at 546 nm (FWHM: 25 nm) in a solid-state composite structure. The porous ZIF matrix acts as functional encapsulation for the emitters and enables the adsorption of the guest molecules water and ethanol. The adsorption and desorption of the guest molecules is then characterized by a reversable photoluminescence change of the embedded NPLs. The transmittance of the composite films exceeds the values of uncoated glass at visible wavelengths where the NPL emitters show no absorption (>540 nm) and renders them anti-reflective coatings. At NPL absorption wavelengths (440–540 nm), the transmittance of the thin composite film-coated glass lies close to the transmittance of uncoated glass. The fast formation of innovative, smooth NPL/ZIF composite films without pre-polymerizing the colloidal 2D nanostructures first provides a powerful tool toward application-oriented photoluminescence-based gas sensing.

Is a classical description of nuclear motion sufficient when describing chemical reactions and spectra? This question is interesting because many researchers use a classical description of nuclear motion in molecular dynamics simulations. The present paper investigates some phenomena that were previously attributed to nuclear quantum effects. The question is if these phenomena can be modeled with traditional Car–Parrinello molecular dynamics, that is, with a method which treats nuclear motion classically and which is widely applied to the simulation of chemical reactions and spectra. We find that for the investigated system no additional paradigm is needed for describing chemical reactions. The special reactivity observed for carbenes can be attributed to the special environment represented by a noble gas matrix and to an additional transition state that was not considered before. Also the infrared spectrum of porphycene is perfectly modeled by traditional Car–Parrinello molecular dynamics. More studies are necessary to decide to what extent classical nuclear motion can replace the quantum mechanical description.

The high usage of silver in industrial solar cells may limit the growth of the solar industry. One solution is to replace Ag with copper. A screen printable Cu paste is used herein to metallize industrial interdigitated back contact (IBC) solar cells. A novel metallization structure is proposed for making solar cells. Cu paste is applied to replace the majority of the Ag used in IBC cells as busbars and fingers. Cu paste is evaluated for use as fingers, and solar cells are made to test conversion efficiency and reliability. The Cu paste achieves comparably low resistivity, and Cu paste printed cells demonstrate similar efficiency to Ag paste printed cells, with an average efficiency of 23%, and only 4.5 mg W−1 of Ag usage. Also, the solar cells are stable and no Cu in-diffusion is observed under damp heat (85 °C, 85% relative humidity) and thermal stress (200 °C) for 1000 h, respectively. All processes used in this study can be carried out with industrial equipment. These findings reveal a new application for Cu pastes and point to a new direction for reducing Ag utilization and cost., Green Open Access added to TU Delft Institutional Repository 'You share, we take care!' - Taverne project https://www.openaccess.nl/en/you-share-we-take-care Otherwise as indicated in the copyright section: the publisher is the copyright holder of this work and the author uses the Dutch legislation to make this work public., Photovoltaic Materials and Devices, Electrical Sustainable Energy

To be accepted by the community, the claim that nuclear motion has to be treated classically must be tested for all kinds of phenomena. For the moment we claim that in a quantum chemical calculation, a classical description of nuclear motion is superior to the use of the Schrödinger equation, and investigate how far we get with this statement. In the present paper we address the question what nuclear quantum statistics means in this context. We will show that the Maxwell–Boltzmann velocity distribution evolves quickly in any molecular dynamics simulation and this guarantees the physically correct behavior of molecular systems. Using first-principles molecular dynamics simulations, or more precisely Car–Parrinello molecular dynamics, we investigate what this means for Bose-Einstein condensates and for Cooper pairs. It turns out that our approach can explain all relevant phenomena. As a consequence, we can introduce a deterministic formulation of quantum mechanics and can get rid of all the paradoxa in traditional quantum mechanics. The basic idea is to treat electrons and nuclei differently.