Algorithmic Design of Disordered Networks With Arbitrary Coordination: Application to Biophotonics
Advanced Functional Materials, EarlyView.Predictive Design of Disordered Networks: Disordered network‐like morphologies are abundant in nature, from cytoskeletal networks to bone structures and chalcogenide glasses. These structures are naturally hard to characterize. A new algorithmic tool extends the established Wooten–Weaire–Winer (WWW) algorithm to valencies above 4.
Florin Hemmann +3 more
wiley +1 more source
Density- and Temperature-Dependent Potentials: Redefinition of the Local Density to Improve the Simulation of Liquids within Generalized Dissipative Particle Dynamics. [PDF]
J Chem Theory ComputColella G +3 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.Here, SubNc single‐component organic photodiodes (SC‐OPDs) are investigated, which achieve highly competitive performance metrics, including high EQE, ultra‐low JD, and high specific detectivity (D*). This study emphasizes the critical role of an organic buffer layer in studying the interface energetics and effects to achieve state‐of‐the‐art ...
Anncharlott Kusber +12 more
wiley +1 more source
In silico unwinding of <i>Caenorhabditis elegans</i> microRNA duplexes to evaluate thermodynamic end stabilities improves predictions of microRNA strand selection. [PDF]
RNA BiolMedley JC, Zinovyeva A.
europepmc +1 more source
Spatially Modulated Morphotropic Phase Boundaries in a Compressively Strained Multiferroic Thin Film
Advanced Functional Materials, EarlyView.ABSTRACT The coexisting rhombohedral‐like (R′, MA) and tetragonal‐like (T′, MC) monoclinic phases in compressively strained bismuth ferrite thin films exhibit exceptional piezoelectric and magnetic properties. While previous studies have largely focused on probing the morphotropic phase boundaries (MPBs) comprising ordered R′/T′ twins, their self ...
Ting‐Ran Liu +7 more
wiley +1 more source
Enthalpy-Entropy Trade-Off Underlies Geometric Isomer Selectivity in Histamine H<sub>1</sub> Receptor-Doxepin Interaction. [PDF]
ACS Med Chem LettKaneko H +4 more
europepmc +1 more source
Advanced Functional Materials, EarlyView.This work presents a rate‐adaptive site transformation strategy in Ag‑ethylenediamine intercalated Co9S8, which not only enables parallel water dissociation and H* adsorption, but also allows the catalyst to provide more active sites under high demand, removing a major bottleneck. The catalyst achieves a record current density of 4.2 A cm−2@2.0 V, with
Yongqi Ye +3 more
wiley +1 more source
Identification and quantification of irreversibility in stochastic systems.
Phys Chem Chem PhysGhosal A, Bisker G.
europepmc +1 more source
New Insights into the Transition Temperature of Gypsum to Anhydrite Based on DFT Calculations of Thermodynamic Properties. [PDF]
ACS OmegaCheng H, Hai Q, Ma X, Du Y.
europepmc +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