New Oxychalcogenides for Electronic, Magnetic and Optical Applications

用于电子、磁性和光学应用的新型硫族化合物

• 批准号: EP/F066422/1
• 负责人: John Evans
• 金额: $ 39.05万
• 依托单位: Durham University
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2009
• 资助国家: 英国
• 起止时间: 2009 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FF066422%2F1
• 关键词: New; Oxychalcogenides; Electronic; Magnetic; Optical

Solid state chemistry has impact on many areas of modern life. Examples are numerous: essentially all the petrol we use has been processed using solid state porous catalysts; the fuel cells and rechargeable batteries in modern portable devices rely on materials produced by solid state chemists; metal alloys and metal oxides form key components of all electronic goods. Many of the materials in use today are based on metal oxides. In these materials electronic, optical and magnetic properties are usually controlled by substituting different metal ions in the structure. This influences the electron count in metal-oxygen antibonding bands which in turn changes properties; seemingly minor changes in chemical composition can dramatically change a material's properties. In this proposal we seek funding to investigate the chemistry of oxychalcogenides, phases which simultaneously contain O2- and S2- or Se2- anions. We believe that these materials are exciting for several reasons. Firstly, they are a relatively under-explored family and there are significant opportunities to prepare new materials with properties influenced by the simultaneous presence of two different anions. Secondly, the bonding in such materials is significantly different to that in oxides and the higher degree of covalency leads to a combination of metal and anion character in the highest energy occupied electronic states. This offers the possibility of preparing phases such as p-type transparent conductors and to produce materials with potentially exploitable magnetic properties. Thirdly, it's possible to use the chalcogenide layers in materials to stabilise oxide layers with structural arrangements that aren't found in pure oxide materials. The novel structures of such layers suggest novel electronic and magnetic properties may be discovered and exploited.In one work strand we aim to develop the chemistry of materials related to [Bi2LnO4][Cu2Se2] (Ln is a 3+ lanthanoid element). There are a wide range of chemical substitutions and related materials we hope to prepare with a range of potentially interesting properties. A second strand targets [Ln2O2Q2][M2O] (M is a transition metal) materials which contain an unusual [M2O] layer of atoms which is structurally related to layers found in many important materials but has M and O positions reversed. We wish to explore the range of such materials that can be prepared and investigate their structural, magnetic and electronic properties. A final strand of the work will use our knowledge of the kinds of features found in known oxychalcogenides to target new structure types.In summary, this project will allow us to prepare exciting new materials and investigate their structural, electronic, optical and magnetic properties.

固态化学对现代生活的许多领域都有影响。例子很多：基本上我们使用的所有汽油都是使用固态多孔催化剂加工的；现代便携式设备中的燃料电池和充电电池依赖于固态化学家生产的材料；金属合金和金属氧化物构成所有电子产品的关键组件。当今使用的许多材料都是基于金属氧化物的。在这些材料中，电子、光学和磁性能通常通过在结构中取代不同的金属离子来控制。这会影响金属-氧反键带中的电子计数，进而改变特性；化学成分看似微小的变化可以极大地改变材料的性能。在本提案中，我们寻求资金来研究含氧硫属化物的化学性质，该相同时含有 O2- 和 S2- 或 Se2- 阴离子。我们相信这些材料令人兴奋有几个原因。首先，它们是一个相对未被充分开发的家族，并且有很大的机会来制备其性能受两种不同阴离子同时存在影响的新材料。其次，此类材料中的键合与氧化物中的键合显着不同，并且更高程度的共价导致金属和阴离子特征在最高能量占据电子态下的组合。这提供了制备 p 型透明导体等相以及生产具有潜在可利用磁性的材料的可能性。第三，可以在材料中使用硫族化物层来稳定具有纯氧化物材料中没有的结构排列的氧化物层。这些层的新颖结构表明可以发现和利用新颖的电子和磁性特性。在一项工作中，我们的目标是开发与 [Bi2LnO4][Cu2Se2]（Ln 是一种 3+ 镧系元素）相关的材料化学。我们希望制备出多种具有一系列潜在有趣特性的化学替代品和相关材料。第二条链的目标是 [Ln2O2Q2][M2O]（M 是过渡金属）材料，其中包含不寻常的 [M2O] 原子层，该原子层在结构上与许多重要材料中发现的层相关，但 M 和 O 位置相反。我们希望探索可以制备的此类材料的范围，并研究它们的结构、磁性和电子特性。这项工作的最后一部分将利用我们对已知硫族化合物中发现的各种特征的了解来瞄准新的结构类型。总之，该项目将使我们能够制备令人兴奋的新材料并研究其结构、电子、光学和磁性特性。

项目成果

Magnetism of the Fe 2 + and Ce 3 + sublattices in Ce 2 O 2 FeSe 2 : A combined neutron powder diffraction, inelastic neutron scattering, and density functional study

Ce 2 O 2 FeSe 2 中 Fe 2 和 Ce 3 亚晶格的磁性：中子粉末衍射、非弹性中子散射和密度泛函的组合研究

• DOI: http://dx.10.1103/physrevb.90.235115
• 发表时间: 2014
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: McCabe E

A new iron oxyselenide Ce2O2FeSe2: synthesis and characterisation.

一种新型氧硒化铁Ce2O2FeSe2：合成和表征。

• DOI: 10.1039/c0cc03477k
• 发表时间: 2011-01-10
• 期刊: Chemical communications
• 影响因子: 4.9
• 作者: E. McCabe;D. G. Free;John S. O. Evans
• 通讯作者: John S. O. Evans

Weak spin interactions in Mott insulating La 2 O 2 Fe 2 OSe 2

莫特绝缘 La 2 O 2 Fe 2 OSe 2 中的弱自旋相互作用

• DOI: http://dx.10.1103/physrevb.89.100402
• 发表时间: 2014
• 期刊: Physical Review B
• 影响因子: 3.7
• 作者: McCabe E

Synthesis, Structure and Properties of Several New Oxychalcogenide Materials with the General Formula A 2 O 2 M 2 OSe 2 ( A = La-Sm, M = Fe, Mn)

几种通式A 2 O 2 M 2 OSe 2 (A = La-Sm, M = Fe, Mn)新型硫属化物材料的合成、结构及性能

• DOI: http://dx.10.1021/cm1035453
• 发表时间: 2011
• 期刊: Chemistry of Materials
• 影响因子: 8.6
• 作者: Free D

Infinitely Adaptive Transition-Metal Ordering in Ln2O2MSe2-Type Oxychalcogenides.

Ln2O2MSe2 型硫族化合物中的无限自适应过渡金属排序。

• DOI: 10.1021/acs.inorgchem.5b00599
• 发表时间: 2015-04-30
• 期刊: Inorganic chemistry
• 影响因子: 4.6
• 作者: C. M. Ainsworth;Chun;Hannah E. Johnston;E. McCabe;M. Tucker;H. Br;John S. O. Evans
• 通讯作者: John S. O. Evans