Results 51 to 60 of about 10,317 (278)

Machine Learning‐Assisted Inverse Design of Soft and Multifunctional Hybrid Liquid Metal Composites

Advanced Functional Materials, EarlyView.
A machine learning framework is presented for inverse design of synthesizable multifunctional composites containing both liquid metal and solid inclusions. By integrating physics‐based modeling, data‐driven prediction, and Bayesian optimization, the approach enables intelligent design of experiments to identify optimal compositions and realize these ...
Lijun Zhou, Yunsik Ohm, Ren‐Mian Chin, Olivia Kerr, Krithika Manohar, Mohammad H. Malakooti   +5 more
wiley   +1 more source

Planar Elongated B₁₂ Structure in M₃B₁₂ Clusters (M = Cu-Au)

Molecules, 2022
Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment.
José Solar-Encinas, Alejandro Vásquez-Espinal, Luis Leyva-Parra, Osvaldo Yañez, Diego Inostroza, Maria Luisa Valenzuela, Walter Orellana, William Tiznado   +7 more
doaj   +1 more source

Nanotubules of bare boron clusters:

, 2002
Using ab initio quantum-chemical and density functional methods we have determined novel structures of bare boron clusters. In addition to previously reported quasi-planar, convex and spherical cluster forms, boron nanotubules seem to be highly stable ...
A. Quandt, I. Boustani
core   +1 more source

Template‐Confined Synthesis of Shape‐Engineered Single‐Crystal Gold Microplates in Lithographically‐Defined Polymeric Patterns

Advanced Functional Materials, EarlyView.
Single‐crystal gold microplates are high‐performance nanomaterials with an impressive wafer‐based application space. Progress has, however, been tempered by an inability to exert synthetic control over microplate size, shape, and positioning. In this work, control over these parameters is demonstrated using a seed‐mediated synthesis that both confines ...
Debasish Panda, Md Rashed Nizam, Walker J. Tuff, Collin C. Wyant, Maksym Zhukovskyi, Matthew R. Rosenberger, Botond Sánta, Edward C. Kinzel, Robert A. Hughes, Svetlana Neretina   +9 more
wiley   +1 more source

Structure and Stability of Small Boron and Boron Oxide Clusters

, 2016
To rationally design and explore a potential energy source based on the highly exothermic oxidation of boron, density functional theory (DFT) was used to characterize small boron clusters with 0−3 oxygen atoms and a total of up to ten atoms.
Vincent Meunier (1287186), Michael L. Drummond (225940), Bobby G. Sumpter (537235)   +2 more
core   +1 more source

Electronic spectroscopy of transient species in plasma discharges [PDF]

, 2004
The work was focused on the spectroscopic study of carbon chain species as well as small boron clusters in the gas phase. The experimental apparatus was built before, however, in order to produce boron species.
Cias, Pawel
core   +1 more source

Designed Lewis Acid–Base Passivation for High Performance Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
ABSTRACT Silicon's high cost and long energy payback time remain major barriers to the global expansion of solar power. In contrast, metal–halide perovskites offer abundant, solution‐processable absorbers, and have achieved efficiencies of 25%–30%, positioning them as strong competitors to silicon.
Afna Manaf, Hiba Shahulhameed, Bhabani Sankar Swain, Shengzhong (Frank) Liu, Adel Najar   +4 more
wiley   +1 more source

Unlocking Exceptional Strengthening in Aluminum Alloys via Interstitial Cottrell Atmosphere Formation

Advanced Functional Materials, EarlyView.
Cyclic unloading‐aging‐reloading micro‐tensile tests under various aging durations and temperatures, combined with comprehensive microstructural characterization reveal that the yield point phenomenon in Aluminum‐Carbon (Al‐C) thin films originates from Cottrell atmosphere formation.
Zion Lee, Hojang Kim, Yixuan Hu, Injong Oh, Tae‐Hyeok Kang, Hyeonbeen Noh, Yuhyun Park, Sunkun Choi, Pyuck‐Pa Choi, Kolan Madhav Reddy, Gi‐Dong Sim   +10 more
wiley   +1 more source

Huckel's rule of aromaticity categorizes aromatic closo boron hydride clusters

, 2019
A direct connection is established between three-dimensional aromatic closo boron hydride clusters and planar aromatic [n] annulenes for medium and large boron clusters. In particular, the results prove the existence of a link between the two-dimensional
Viñas, Clara, Teixidor, Francesc, Poater i Teixidor, Jordi, Solà, Miquel   +3 more
core   +2 more sources

Theoretical Insight on the Formation Mechanism of a Trisubstituted Derivative of Closo-Decaborate Anion [B₁₀H₇O₂CCH₃(NCCH₃)]⁰

Inorganics, 2023
A theoretical modelling of the interaction process between a protonated complex of carboxonium derivative [2,6-B10H8O2CCH3*Hfac]0 and acetonitrile molecule CH3CN was carried out.
Ilya N. Klyukin, Anastasia V. Kolbunova, Alexander S. Novikov, Andrey P. Zhdanov, Konstantin Yu. Zhizhin, Nikolay T. Kuznetsov   +5 more
doaj   +1 more source