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矿冶:2021,30(5):-
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铅铁团簇的研究进展
(昆明理工大学冶金与能源工程学院)
Research progress of lead-iron clusters
WANG Wenjing1, DENG Yong1, Wang Hongyu2
(1.School of Metallurgical and Energy Engineering,Kunming University of Science and Technology;2.昆明理工大学)
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投稿时间:2021-01-05    修订日期:2021-03-17
中文摘要: 铁作为著名的磁性材料及应用甚广的催化材料,铁团簇已经在实验和理论上被研究了很多年,铅具有高导热性、化学惰性以及高沸点等优良性能,且作为目前我国应用最广的铅酸电池的主要材料,铅团簇的理论研究也一直是一个热点。随着计算机运行速度以及计算机模拟技术的发展应用密度泛函理论对其结构以及电子性质的研究日益增多。为了研究铅铁合金团簇内部结构,探明铅与铁间相互作用的机理,进一步提高铅铁合金团簇的稳定性,本文综述了近年来国内外应用密度泛函理对对铅铁团簇的研究现状,同时重点介绍了铅与铁单原子团簇目前的研究进展,旨在为研究铅铁合金团簇间的相互作用行为提供理论依据
Abstract:Iron as a well-known magnetic materials and application of catalytic materials, iron clusters have been studied for many years, in the experimental and theoretical lead with high thermal conductivity, chemical inertness and high boiling point and other excellent properties, and of the most widely used in China as the main material of lead-acid batteries, lead clusters theory research also has been a hot spot.With the development of computer running speed and computer simulation technology, the research on its structure and electronic properties by density functional theory is increasing day by day.In order to study the lead alloy clusters internal structure, proved the mechanism of interaction between lead and iron, further improve the stability of the lead alloy clusters, this paper reviews the application of density functional theory at home and abroad in recent years the rightness lead the research status of iron clusters, cluster at the same time focus on lead and iron sheet radicals, recent research progress of aims to lead for the study of ferroalloy clusters provide theoretical basis for the interaction between behavior.
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基金项目:国家自然科学“锌还原熔炼过程中铅与锌铟铁间的相互作用行为研究”(51904132)
引用文本:
王文静,邓勇,王红玉.铅铁团簇的研究进展[J].矿冶,2021,30(5):.

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