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Silver and copper monohalides can be viewed as a class of compounds in the neutral zone between predominantly covalent and ionic compounds, thereby exhibiting neither strong ionicity nor strong covalency. We show ab initio calculation…

Materials Science · Physics 2019-12-12 Yaxin Gao , Menghao Wu , Xiao Cheng Zeng

The performance of solution-processed organic light emitting diodes (OLEDs) is often limited by non-uniform contacts. In this work, we introduce Ni-containing solution-processed metal oxide (MO) interfacial layers inserted between indium…

Charge injection from electrodes into doped organic films is a widespread technology used in the majority of state-of-the-art organic semiconductor devices. Although such interfaces are commonly considered to form Ohmic contacts via strong…

Despite the weak nature of interlayer forces in transition metal dichalcogenide (TMD) materials, their properties are highly dependent on the number of layers in the few-layer two-dimensional (2D) limit. Here, we present a combined scanning…

The quest for safe high-energy batteries with "5V-class" cathodes and lithium metal anodes drives research into solid electrolytes. However, reasons for the large charge transfer resistances -- the major bottleneck of all-solid-state…

Chemical Physics · Physics 2021-01-26 Katharina Becker-Steinberger , Simon Schardt , Birger Horstmann , Arnulf Latz

Interface engineering in complex oxide heterostructures has developed into a flourishing field as various intriguing physical phenomena can be demonstrated which are otherwise absent in their constituent bulk compounds. Here we present…

Materials Science · Physics 2023-04-03 Snehal Mandal , Sandip Halder , Biswarup Satpati , Kalpataru Pradhan , I. Das

The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates= materials remains heavily debated. Effective low energy single-band models of the copper-oxygen orbitals are widely used because there exists no…

Organic electrochemical transistors formed by in operando electropolymerization of the semiconducting channel are increasingly becoming recognized as a simple and effective implementation of synapses in neuromorphic hardware. However, very…

The family of hybrid organic-inorganic lead-halide perovskites are the subject of intense interest for optoelectronic applications, from light-emitting diodes to photovoltaics to X-ray detectors. Due to the inert nature of most organic…

We report a detailed comparison on the role of a self-assembled monolayer (SAM) of dipolar molecules on the threshold voltage and charge carrier mobility of organic field-effect transistor (OFET) made of both amorphous and polycrystalline…

Materials Science · Physics 2014-02-05 C. Celle , C. Suspene , M. Ternisien , S. Lenfant , D. Guerin , K. Smaali , K. Lmimouni , J. P. Simonato , D. Vuillaume

Currently, Sb$_2$Se$_3$ thin films receive considerable research interest as a solar cell absorber material. When completed into a device stack, the major bottleneck for further device improvement is the open circuit voltage, which is the…

Currently known topological insulators (TIs) are limited to narrow gap compounds incorporating heavy elements, thus severely limiting the material pool available for such applications. We show via first-principle calculations how a…

Materials Science · Physics 2016-05-23 Qihang Liu , Xiuwen Zhang , L. B. Abdalla , Alex Zunger

Alkali metal intercalation of graphene layers has been of particular interest due to potential applications in electronics, energy storage, and catalysis. Rubidium (Rb) is one of the largest alkali metals and the one less investigated as…

In this work, layered perovskite SBN was investigated in a new doped form for hole as well as electron transport layer (HTL/ETL) in perovskite solar cells. This work was targeted to conclude the effect of tin doping in lanthanum-bismuth…

Materials Science · Physics 2019-05-16 Anurag Pritam , Vaibhav Shrivastava

By performing first-principles calculations on four capacitor structures based on BaTiO3 and PbTiO3, we determine the intrinsic interfacial effects that are responsible for the destabilization of the polar state in thin-film ferroelectric…

Materials Science · Physics 2011-03-03 Massimiliano Stengel , David Vanderbilt , Nicola A. Spaldin

Graphene is a two-dimensional (2D) semimetal with high mobility in charge carriers due to the existence of Dirac points. Silicene is another promising material, with properties analog to graphene. Many silicon (Si) based electronic devices…

Materials Science · Physics 2021-09-07 K M Abeywickrama , P K D D P Pitigala , W W P De Silva

The electronic properties of hybrid organic-inorganic semiconductor interfaces depend strongly on the alignment of the electronic carrier levels in the organic/inorganic components. In the present work, we address this energy level…

High-k oxides such as SrTiO3 promise large capacitance, but their dielectric response is often limited by leakage currents due to reduced bandgaps. We show that introducing a thin barrier layer beneath SrTiO3 is a simple and effective way…

Indium antimonide (InSb) nanowires are used as building blocks for quantum devices because of their unique properties, i.e., strong spin-orbit interaction and large Land\'e g-factor. Integrating InSb nanowires with other materials could…

We consider the effect of mobile ions on the applied potential needed to reorient a lamellar system of two different materials placed between two planar electrodes. The reorientation occurs from a configuration parallel to the electrodes…

Soft Condensed Matter · Physics 2012-07-19 Gregory Garbès Putzel , David Andelman , Yoav Tsori , Michael Schick