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We present first-principles density functional theory (DFT) investigations of mechanical, thermodynamic and optical properties of synthesized inverse-perovskites Sc3InX (X = B, C, N). The elastic constants at zero pressure and temperature…

Materials Science · Physics 2012-11-27 M. A. Hossain , M. S. Ali , F. Parvin , A. K. M. A. Islam

Radioluminescent nanostructures provide a pathway to the fabrication of next-generation scintillators with tunability in composition, size, and morphology, and spectral and temporal properties, as well as scalable processing. Here we create…

Although discovery in hydrogen induced electronic transition within perovskite family of rare-earth nickelate (ReNiO3) opens up a new paradigm in exploring both the new materials functionality and device applications, the existing research…

Materials Science · Physics 2022-03-14 Yi Bian , Haiyan Li , Fengbo Yan , Haifan Li , Jiaou Wang , Hao Zhang , Yong Jiang , Nuofu Chen , Jikun Chen

Metal halide perovskites (MHPs) have had a profound impact on numerous emerging optoelectronic technologies, achieving performance metrics that rival or exceed incumbent materials. This impact is underpinned by the exceptional properties of…

The application of ultrathin two-dimensional (2D) perovskites in near-infrared and visible-range optoelectronics has been limited owing to their inherent wide bandgaps, large excitonic binding energies and low optical absorption at higher…

Mesoscale and Nanoscale Physics · Physics 2022-05-06 Abin Varghese , Yuefeng Yin , Mingchao Wang , Saurabh Lodha , Nikhil V. Medhekar

Defect engineering is applied to hybrid (CH$_3$NH$_3$)PbI$_3$ organic-inorganic perovskites. These materials have become one of the most promising low-cost alternatives to traditional semiconductors in the field of photovoltaics and light…

Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of this family containing up to two different metal atoms. A…

Superconductivity · Physics 2023-01-27 Nisha Geng , Katerina P. Hilleke , Li Zhu , Xiaoyu Wang , Timothy A. Strobel , Eva Zurek

Under external stimuli, lead halide perovskites exhibit large atomic fluctuations, impacting optical and electron transport properties that affect device performance in operational settings. However, a thorough understanding of the atomic…

Polarimetric infrared detection bolsters IR thermography by leveraging the polarization of light. Optical anisotropy, i.e., birefringence and dichroism, can be leveraged to achieve polarimetric detection. Recently, giant optical anisotropy…

Upconversion persistent luminescence (UCPL) phosphors that can be directly charged by near-infrared (NIR) light have gained considerable attention due to their promising applications ranging from photonics to biomedicine. However, current…

Photon upconversion, combining several low-energy photons to generate one high-energy photon is of wide interest for biomedical, catalytic and photonic applications. Lanthanide-doped nanoparticles (LnNP) are a unique type of upconversion…

To be able to increase the efficiency of perovskite solar cells which is one of the most substantial challenges ahead in photovoltaic industry, the structural and optical properties of perovskite CH3NH3PbI3-xBrx for values x=1-3 have been…

Understanding and modeling energy transfer mechanisms in rare-earth-doped nanomaterials is essential for advancing luminescent technologies used in bioimaging, optical thermometry, and solid-state lasers. In this work, we investigate the…

We present a time-domain technique based on rapid bias polarity switching (BiPS) to probe charge transport and near-surface defects in halide perovskite single crystals. The method exploits interfacial extraction barriers, which cause…

The interface-enhanced superconductivity in monolayer iron selenide (FeSe) films on SrTiO3 has been actively pursued in the past decade. Although a synergistic effect between interfacial charge transfer and interfacial electron-phonon…

CsPbI3 has recently received tremendous attention as a possible absorber of perovskite solar cells (PSCs). However, CsPbI3-based PSCs have yet to achieve the high performance of the hybrid PSCs. In this work, we performed a density…

Distinct shortcomings of individual halide perovskites for solar applications, such as restricted range of band gaps, propensity of ABX3 to decompose into AX+BX2, or oxidation of 2ABX3 into A2BX6 have led to the need to consider alloys of…

Materials Science · Physics 2018-12-31 Gustavo M. Dalpian , Xingang Zhao , Lawrence Kazmerski , Alex Zunger

Grafting linkers with open ends of complementary single-stranded DNA makes a flexible tool to tune interactions between colloids,which facilitates the design of complex self-assembly structures. Recently, it has been proposed to coat…

Soft Condensed Matter · Physics 2018-01-31 Hao Hu , Pablo Sampedro Ruiz , Ran Ni

Metal halide perovskite solar cells have achieved dramatic improvements in their power conversion efficiency in the recent past. Since compositional engineering plays an important role in optimizing material properties, we investigate the…

Initiating impact ionization of avalanche breakdown essentially requires applying a high electric field in a long active region, hampering carrier-multiplication with high gain, low bias and superior noise performance. Here we report the…