Results 101 to 110 of about 149,322 (236)
Advanced Materials, EarlyView.Two‐dimensional Ag11 and Ag12 cluster‐assembled materials (CAMs) are synthesized, offering atomically precise platforms with tunable electronic properties. The resulting materials exhibit robust memristive switching and neuromorphic response, demonstrating their promise for advanced nanoelectronic and memory applications.
Noohul Alam +7 more
wiley +1 more source
On the HOMO-LUMO Separation in Fullerenes [PDF]
, 1993 The isumers uf a given fullerene C„ cuuld be divided into subsets, each characterized by two numbers, p and q. The former denotes the number of bonds shared by two fused pentagons and the latter denotes the number of vertices being common to the triplets
Babić, D., Graovac, A., Trinajstić, N.
core +1 more source
Advanced Materials, EarlyView.Aqueous ammonium‐ion batteries (AAIBs) face a hydrogen‐bond paradox: the HB network enables fast NH4+ transport but triggers water decomposition. This review dissects this dilemma, evaluates multiple electrolyte engineering strategies, and outlines four future directions for next‐generation AAIB design ABSTRACT Aqueous ammonium‐ion batteries (AAIBs ...
Zi‐Hang Huang +6 more
wiley +1 more source
Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO-LUMO Gap. [PDF]
J Phys Chem C Nanomater Interfaces, 2022 Zhang T +13 more
europepmc +1 more source
Decoding Synergistic Pathways in Bimetallic MOFs for Advanced Oxidation Processes
Advanced Materials, EarlyView.This review presents a unified framework linking metal pairing and framework design with electronic structure, redox cycling, oxidant activation, reactive‐species generation, and catalytic performance across photocatalytic and oxidant‐based BMOF‐AOPs. The resulting design principles guide the development of hydrolytically stable and efficient BMOFs for
Karim El‐Naggar +2 more
wiley +1 more source
Energy Component Analysis for Electronically Excited States of Molecules: Why the Lowest Excited State Is Not Always the HOMO/LUMO Transition. [PDF]
J Chem Theory Comput, 2023 Kimber P, Plasser F.
europepmc +1 more source
Radiative Thermal Management for Extreme Environments: Mechanisms and Design Strategies
Advanced Materials, EarlyView.In this review, we discuss the fundamental mechanisms of radiative cooling and solar heating, material and structural design strategies, hybrid approaches integrating additional heat transfer pathways, and durability‐oriented designs addressing environmental stresses.
Hyung Rae Kim +5 more
wiley +1 more source
Scalable training of graph convolutional neural networks for fast and accurate predictions of HOMO-LUMO gap in molecules. [PDF]
J Cheminform, 2022 Choi JY +4 more
europepmc +1 more source
Polyenes with maximum HOMO-LUMO gap
, 2001 On the basis of a variable neighbourhood search with the AutoGraphiX software, it is conjectured that for even numbers of atoms the fully conjugated acyclic π system of maximum HOMO-LUMO gap is a 'comb' in which each vertex of a backbone carries a single
Fowler P. W. +3 more
core +1 more source
Advanced Materials, EarlyView.Ionic cocrystal‐programmed ionic organization establishes a general strategy for electrostatic programming in polymeric photocatalysts. ABSTRACT Controlling the spatial organization of ions in polymeric photocatalysts remains a fundamental challenge for optimizing charge transport and catalytic selectivity in solar‐driven hydrogen peroxide (H2O2 ...
Anna Lo Presti +6 more
wiley +1 more source