Results 101 to 110 of about 10,754 (283)

High Seebeck coefficient and ultra-low lattice thermal conductivity in Cs2InAgCl6

, 2018
The elastic, electronic and thermoelectric properties of indium-based double-perovskite halide, Cs2InAgCl6 have been studied by first principles study.
Haque, Enamul, Hossain, M. Anwar
core  

Superionic Amorphous Li2ZrCl6 and Li2HfCl6

Advanced Materials, EarlyView.
Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley   +1 more source

Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing

Journal of the American Chemical Society, 2020
All-inorganic halide double perovskites have emerged as a promising class of materials that are potentially more stable and less toxic than lead-containing hybrid organic-inorganic perovskite optoelectronic materials. In this work, 311 cesium chloride double perovskites (Cs2BB'Cl6) were selected from a set of 903 compounds as likely being stable on the
Christopher J. Bartel, Jacob M. Clary, Christopher Sutton, Derek Vigil-Fowler, Bryan R. Goldsmith, Aaron M. Holder, Charles B. Musgrave   +6 more
openaire   +4 more sources

Phase‐Pure and Size‐Tunable Tin Halide Perovskite Quantum Dots

Advanced Materials, EarlyView.
A trioctylphosphine oxide modulated protocol allows for the synthesis and study of the optical properties of a broad library of tin halide perovskite quantum dots across multiple A‐ and X‐site compositions with precise size tuning while eliminating unwanted 2D phases.
Ole F. Dressler, Benjamin Aymoz, Sebastian Sabisch, Stefanie Frick, Sebastian Siol, Dmitry N. Dirin, Simon C. Boehme, Maksym V. Kovalenko   +7 more
wiley   +1 more source

Highly‐Emissive Organic Photovoltaics Approaching Theoretical Limit Voltage and Enabling Multifunctional Energy‐Harvesting Displays

Advanced Materials, EarlyView.
A highly‐emissive organic photovoltaic employs donor–acceptor pairs with alternately localized frontier molecular orbitals, preserving high triplet energies and small reorganization energies to suppress non‐radiative recombination. As a result, it exhibits a high open‐circuit voltage approaching the Shockley–Queisser limit and a high ...
Qing‐Jun Shui, Naoya Aizawa, Jinyao Xu, Atsuko Nihonyanagi, Daigo Miyajima, Ken‐ichi Nakayama, Yutaka Majima, Seiichiro Izawa   +7 more
wiley   +1 more source

Lead-free metal-halide double perovskites: from optoelectronic properties to applications

Nanophotonics, 2020
Lead (Pb) halide perovskites have witnessed highly promising achievements for high-efficiency solar cells, light-emitting diodes (LEDs), and photo/radiation detectors due to their exceptional optoelectronic properties.
Ghasemi Mehri, Hao Mengmeng, Xiao Mu, Chen Peng, He Dongxu, Zhang Yurou, Chen Weijian, Fan Jiandong, Yun Jung H., Jia Baohua, Wen Xiaoming   +10 more
doaj   +1 more source

Lone Pair Effect, Structural Distortions and Potential for Superconductivity in Tl Perovskites

, 2013
Drawing the analogy to BaBiO3, we investigate via ab-initio electronic structure calculations potential new superconductors of the type ATlX3 with A = Rb, Cs and X = F, Cl, and Br, with a particular emphasis on RbTlCl3.
Cava, R. J., Felser, Claudia, Müchler, Lukas, Schoop, Leslie M.   +3 more
core   +1 more source

Theoretical exploration of mechanical, electronic structure and optical properties of aluminium based double halide perovskite. [PDF]

RSC Adv, 2022
Tang TY, Zhao XH, Hu DY, Liang QQ, Wei XN, Tang YL.   +5 more
europepmc   +1 more source

Defect-mediated electron–phonon coupling in halide double perovskite

Applied Physics Letters
Optically active defects often play a crucial role in governing the light emission as well as the electronic properties of materials. Moreover, defect-mediated states in the midgap region can trap electrons, thus opening a path for the recombination of electrons and holes in lower energy states that may require phonons in the process. Considering this,
Aprajita Joshi, Sajid Saikia, Shalini Badola, Angshuman Nag, Surajit Saha   +4 more
openaire   +2 more sources

In Situ Regenerative Adduct Assisted p‐Type Doping of Organic Semiconductor

Advanced Materials, EarlyView.
An in situ regenerative adduct‐assisted (IRAA) doping strategy is introduced for p‐type doping of organic semiconductors. A regenerating adduct serves as the dopant, enabling highly efficient doping with a choice of counterions. The generality of this approach provides a scalable route to dope a wide range of hole‐transport materials with high thermal ...
Brijesh K. Patel, Arya Vidhan, Shubham Gupta, Vaishali Arunachalam, Simantini Nayak, Neeraj Bhatt, Ravi Shankar Singh, Shaibal K. Sarkar, Pabitra K. Nayak   +8 more
wiley   +1 more source