In order to improve the efficiency of perovskite solar cells (PSCs), careful device design and tailored interface engineering are needed to enhance optoelectronic properties and the charge extraction process at the selective electrodes. Here, we use two-dimensional transition metal carbides (the MXene Ti3C2TX) with various termination groups (TX) to tune the work function (WF) of the perovskite absorber and the TiO2 electron transport layer (ETL), and to engineer the perovskite/ETL interface. Ultraviolet photoemission spectroscopy measurements and Density Functional Theory calculations show that the addition of Ti3C2TX to halide perovskite and TiO2 layers permits to tune the materials' WFs, without affecting other electronic properties. Moreover, the dipole induced by the Ti3C2TX at the perovskite/ETL interface can be used to change the band alignment between these layers. The combined action of WF tuning and interface engineering can lead to substantial performance improvements in MXene-modified PSCs, as shown by the 26% increase of power conversion efficiency and hysteresis reduction with respect to reference cells without Mxene.

White light emitting diodes (LEDs) based on III-nitride InGaN/GaN quantum wells currently offer the highest overall efficiency for solid state lighting applications. Although current phosphor-converted white LEDs have high electricity-to-light conversion efficiencies, it has been recently pointed out that the full potential of solid state lighting could be exploited only by color mixing approaches without employing phosphor-based wavelength conversion. Such an approach requires direct emitting LEDs of different colors, including, in particular, the green-yellow range of the visible spectrum. This range, however, suffers from a systematic drop in efficiency, known as the "green gap," whose physical origin has not been understood completely so far. In this work, we show by atomistic simulations that a consistent part of the green gap in c-plane InGaN/GaN-based light emitting diodes may be attributed to a decrease in the radiative recombination coefficient with increasing indium content due to random fluctuations of the indium concentration naturally present in any InGaN alloy.

We have investigated pattern formation of thin PMMA films during both hot embossing and demoulding of micro- and nanostructures. During filling of the stamp cavities, compressive and capillary effects were observed, and under certain conditions periodic patterns with characteristic length scales formed. In unstructured stamp regions the form of these patterns is affected by local differences in the pressure. For structured stamps, the self-assembly is strongly influenced by the size and the shape of the stamp cavities. Rapid expansion of trapped air resulted in viscous fingering patterns and a dewetting behaviour of the polymer could be observed.

Metropolis Monte Carlo simulations are used to construct minimal energy configurations by electrostatic coupling of rotating dipoles associated with each unit cell of a perovskite CH3NH3PbI3 crystal. Short-range antiferroelectric order is found, whereas at scales of 8-10 nm, we observe the formation of nanodomains, strongly influencing the electrostatics of the device. The models are coupled to drift-diffusion simulations to study the actual role of nanodomains in the I-V characteristics, especially focusing on charge separation and recombination losses. We demonstrate that holes and electrons separate into different nanodomains following different current pathways. From our analysis we can conclude that even antiferroelectric ordering can ultimately lead to an increase of photoconversion efficiencies thanks to a decrease of trap-assisted recombination losses and the formation of good current percolation patterns along domain edges.

Filament-type HfO2-based RRAM has been considered as one of the most promising candidates for future non-volatile memories. Further improvement of the stability, particularly at the “OFF” state, of such devices is mainly hindered by resistance variation induced by the uncontrolled oxygen vacancies distribution and filament growth in HfO2 films. We report highly stable endurance of TiN/Ti/HfO2/Si-tip RRAM devices using a CMOS compatible nanotip method. Simulations indicate that the nanotip bottom electrode provides a local confinement for the electrical field and ionic current density; thus a nano-confinement for the oxygen vacancy distribution and nano-filament location is created by this approach. Conductive atomic force microscopy measurements confirm that the filaments form only on the nanotip region. Resistance switching by using pulses shows highly stable endurance for both ON and OFF modes, thanks to the geometric confinement of the conductive path and filament only above the nanotip. This nano-engineering approach opens a new pathway to realize forming-free RRAM devices with improved stability and reliability.