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Quantum properties and applications of 2D Janus crystals and their superlattices
(American Institute of Physics, 2020-03)
Two-dimensional (2D) Janus materials are a new class of materials with unique physical, chemical, and quantum properties. The name "Janus" originates from the ancient Roman god which has two faces, one looking to the future ...
Gd3+-Doped alpha-CsPbI3 nanocrystals with better phase stability and optical properties
(American Chemical Society, 2019-10)
Black alpha-CsPbI3 perovskites are unable to maintain their phase stability under room conditions; hence, the alpha-CsPbI3 phase transforms into a thermodynamically stable yellow delta-CsPbI3 phase within a few days, which ...
Experimental and first-principles investigation of Cr-driven color change in cesium lead halide perovskites
(American Institute of Physics, 2019-06)
Herein, we report room temperature Cr-doping for all-inorganic perovskites that have attracted great attention in recent years due to their extraordinary optical properties, low cost, and ease of synthesis. Incorporation ...
Color-tunable all-inorganic CsPbBr3 perovskites nanoplatelet films for photovoltaic devices
(American Chemical Society, 2019-08)
Herein, we demonstrate a novel coating approach to fabricate CsPbBr3 perovskite nanoplatelet film with heat-free process via electrospraying from precursor solution. A detailed study is carried out to determine the effect ...
Defect tolerant and dimension dependent ferromagnetism in MnSe2
(Royal Society of Chemistry, 2019)
By performing density functional theory-based calculations, we investigate the structural, vibrational, electronic and magnetic properties of 2D monolayers, nanoribbons and quantum dots of MnSe2. Vibrational spectrum ...
Stacking-dependent excitonic properties of bilayer blue phosphorene
(American Physical Society, 2019-09)
Ab initio calculations in the framework of many-body perturbation theory (MBPT) are performed to calculate the electronic and optical properties of monolayer and bilayer blue phosphorene with different stacking configurations. ...
Fabrication of a postfunctionalizable, biorepellent, electroactive polyurethane interface on a gold surface by surface-assisted polymerization
(American Chemical Society, 2020-06)
This study describes surface-assisted (SurfAst) urethane polymerization, providing a modular/postfunctionalizable, biorepellent, electroactive similar to 10 to 100 nm-thick polyurethane (PU) interface on a gold surface. ...
Functionalization of single-layer TaS(2) and formation of ultrathin Janus structures
(Cambridge University Press, 2020-06)
Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material ...
Stable single-layers of calcium halides (CaX2, X = F, Cl, Br, I)
(American Institute of Physics (AIP), 2020-04)
By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. ...
Vanadium dopant- and strain-dependent magnetic properties of single-layer VI3
(Elsevier, 2020-04)
Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles ...
