Results 71 to 80 of about 11,878 (257)
On the distinguishable cluster approximation for triple excitations
, 2019 The distinguishable cluster approximation applied to coupled cluster doubles equations greatly improves absolute and relative energies. We apply the same approximation to the triples equations and demonstrate that it can also improve results of the ...
Kats, Daniel, Köhn, Andreas
core +1 more source
Type II superlattices for infrared detectors and devices [PDF]
, 1991 Superlattices consisting of combinations of III-V semiconductors with type II band alignments are of interest for infrared applications because their energy gaps can be made smaller than those of any 'natural' III-V compounds.
Chow, D. H. +4 more
core +1 more source
Bio‐Inspired Molecular Events in Poly(Ionic Liquids)
Advanced Functional Materials, EarlyView.Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley +1 more source
Alkaline-earth (Be, Mg and Ca) bonds at the origin of huge acidity enhancements [PDF]
, 2018 The interaction between alkaline-earth derivatives with the general formula X2M (X = H, F and Cl; M = Be, Mg and Ca) and a set of Lewis bases, including first and second-row hydrides, namely YHn(Y = O, N, F, S, P and Cl) hydrides, as well as other ...
Alkorta, Ibon +5 more
core +1 more source
2D Magnetic and Topological Quantum Materials and Devices for Ultralow Power Spintronics
Advanced Functional Materials, EarlyView.2D magnets and topological quantum materials enable ultralow‐power spintronics by combining robust magnetic order with symmetry‐protected, Berry‐curvature‐driven transport. Fundamentals of 2D anisotropy and spin‐orbit‐coupling induced band inversion are linked to scalable growth and vdW stacking.
Brahmdutta Dixit +5 more
wiley +1 more source
Intramolecular magnesium bonds in malonaldehyde-like systems. A critical view of the resonance-assisted phenomena [PDF]
, 2018 Through the use of high-level G4-theory calculations we have investigated the structure, stability and bonding of a set of Mg derivatives formed by replacing the –OH group of malonaldehyde or only the hydrogen atom of this group by a –MgH group.
Alkorta, Ibon +5 more
core +1 more source
Effects of Molecular Designs and Double‐Network Morphologies for Bioadhesive Semiconductors
Advanced Functional Materials, EarlyView.This study establishes molecular‐to‐mesoscale design rules for bioadhesive semiconducting polymers (BASCs). It identifies how side‐chain length, double‐network formation, and film thickness modulate adhesion strength and electronic performance, providing insight into the rational design of intrinsically adhesive semiconductors for stable and efficient ...
Zhichang Liu +8 more
wiley +1 more source
Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems
Advanced Functional Materials, EarlyView.MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley +1 more source
Atomic Layer Deposition in Transistors and Monolithic 3D Integration
Advanced Functional Materials, EarlyView.Transistors are fundamental building blocks of modern electronics. This review summarizes recent progress in atomic layer deposition (ALD) for the synthesis of two‐dimensional (2D) metal oxides and transition‐metal dichalcogenides (TMDCs), with particular emphasis on their enabling role in monolithic three‐dimensional (M3D) integration for next ...
Yue Liu +5 more
wiley +1 more source
X‐Functionality–Driven Photocatalytic Hydrogen Evolution in 2D 4‐X‐PEA2SnI4 Perovskites
Advanced Functional Materials, EarlyView.We report a water‐based synthesis of 2D 4‐X‐PEA2SnI4 perovskite microcrystals with prominent photocatalytic (PC) activity for H2 production. The synergy between organic functionalization and HI‐derived iodide scavenges holes suppress octahedral distortion, and favor electron accumulation, enabling a PC H2 evolution ∼20 µmol·g−1 and long‐term stability ...
Taeyeon Kim +21 more
wiley +1 more source