CAREER: Multi-dimensional synthetic approach toward alkali-transition metal intermetallics guided by theory and in-situ studies

职业：以理论和原位研究为指导的碱金属过渡金属间化合物的多维合成方法

• 批准号: 1944551
• 负责人: Julia Zaikina
• 金额: $ 68.56万
• 依托单位: Iowa State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-02-01 至 2025-01-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1944551&HistoricalAwards=false
• 关键词: CAREER; Multi; dimensional; synthetic; approach

Non-technical summary:Material synthesis and discovery has enabled current technological advances, such as lithium-ion batteries, solar cells, smartphones, microprocessors, medical imaging, and turbines for harnessing wind energy. Despite significant progress in material synthesis, there are many compounds that remain inaccessible by standard synthetic routes. For instance, synthesis of compounds containing ductile and soft alkali metals and powdery non-metals is challenging. Researchers encounter issues with reactants mixing, similar to mixing chocolate chips and cookie dough. With this CAREER award project, supported by the Solid State and Materials Chemistry program in the Division of Materials Research, the principle investigator and her research group develop unique synthetic pathways by utilizing innovative salt-like starting materials. The synthesis is guided by real-time reaction monitoring and theoretical predictions. This approach yields unique alkali metal compounds with potentially useful properties for energy conversion and storage. Additionally, as an education aspect, the PI promotes dissemination of scientific results to the general public, facilitates involvement of undergraduate students into research, and assists graduate students with their job search through video tutorials. These short educational, yet entertaining videos are created as part of the new ICON program (Iowa Chemistry Outreach Network).Technical summary: This CAREER award project, supported by the Solid State and Materials Chemistry program in the Division of Materials Research, advances a synergistic theoretical-experimental synthetic approach to a high level of complexity by aiming at ternary systems with distinctly dissimilar reactivities of elements, such as highly reactive and volatile alkali metals A, refractory and kinetically sluggish transition metals M, and p-block element E. Until now the phase spaces of such systems have remained essentially unexplored, in a stark contrast with similar R-M-E ternary systems (R = rare-earth metal). From the synthetic point of view, elemental alkali metals are challenging precursors. Because of their ductility, volatility, and reactivity, homogeneous mixing of metal/metalloid reactants involving an alkali metal is difficult, while traditional high-temperature treatments, such as arc-melting, are not applicable. This comprehensive experimental approach utilizes salt-like mixable alkali metal hydrides as precursors and is coupled with in-situ reaction monitoring by variable temperature X-ray diffraction and theoretical predictions of structure stability. The research objectives include the targeted and controlled preparation of new ternary compounds, which are unavailable by standard solid state chemistry routes, paving a way to solid state synthesis by design. This research project contributes to the basic knowledge in the field of solid state and materials chemistry, in line with the NSF-DMR program mission. Additionally, as an education aspect, the PI promotes dissemination of scientific results to the general public, facilitates involvement of undergraduate students into research, and assists graduate students in their job search through video tutorials. These short educational, yet entertaining videos are created as part of the new ICON program (Iowa Chemistry Outreach Network).This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

非技术摘要：材料合成和发现促进了当前的技术进步，例如锂离子电池、太阳能电池、智能手机、微处理器、医学成像和利用风能的涡轮机。尽管材料合成取得了重大进展，但仍有许多化合物无法通过标准合成路线获得。例如，含有延展性和软性碱金属以及粉状非金属的化合物的合成具有挑战性。研究人员遇到了反应物混合的问题，类似于混合巧克力片和饼干面团。通过这个职业奖项目，在材料研究部固态和材料化学项目的支持下，首席研究员和她的研究小组利用创新的类盐起始材料开发了独特的合成途径。合成由实时反应监测和理论预测指导。这种方法产生独特的碱金属化合物，具有可用于能量转换和存储的潜在有用特性。此外，在教育方面，PI还促进向公众传播科学成果，促进本科生参与研究，并通过视频教程帮助研究生寻找工作。这些简短的教育性且有趣的视频是作为新的 ICON 计划（爱荷华州化学外展网络）的一部分创建的。技术摘要：该职业奖励项目得到材料研究部固态和材料化学计划的支持，推进了协同作用通过针对元素反应活性明显不同的三元系统（例如高反应性和挥发性碱金属 A、难熔和动力学），实现高度复杂性的理论-实验合成方法惰性过渡金属 M 和 p 区元素 E。到目前为止，此类体系的相空间基本上尚未被探索，与类似的 R-M-E 三元体系（R = 稀土金属）形成鲜明对比。从合成的角度来看，元素碱金属是具有挑战性的前体。由于其延展性、挥发性和反应性，涉及碱金属的金属/类金属反应物的均匀混合很困难，而传统的高温处理（例如电弧熔化）则不适用。这种综合实验方法利用类盐可混合碱金属氢化物作为前驱体，并与通过变温 X 射线衍射进行的原位反应监测和结构稳定性的理论预测相结合。研究目标包括有针对性地、受控地制备新的三元化合物，这是标准固态化学路线无法实现的，为通过设计进行固态合成铺平了道路。该研究项目符合 NSF-DMR 计划的使命，有助于增进固态和材料化学领域的基础知识。此外，作为教育方面，PI还促进向公众传播科学成果，促进本科生参与研究，并通过视频教程帮助研究生求职。这些简短的教育性且有趣的视频是作为新的 ICON 计划（爱荷华州化学外展网络）的一部分而制作的。该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

Interplay between Kondo and magnetic interactions in Pr0.75Gd0.25ScGeH

Pr0.75Gd0.25ScGeH 中近藤与磁相互作用之间的相互作用

• DOI: 10.1016/j.jallcom.2023.171351
• 发表时间: 2023-12
• 期刊: Journal of Alloys and Compounds
• 影响因子: 6.2
• 作者: Del Rose, Tyler;Choudhary, Renu;Mudryk, Yaroslav;Haskel, Daniel;Pathak, Arjun K.;Bhaskar, Gourab;Zaikina, Julia V.;Johnson, Duane D.;Pecharsky, Vitalij K.
• 通讯作者: Pecharsky, Vitalij K.

Breaking New Ground: MBene Route toward Selective Vinyl Double Bond Hydrogenation in Nitroarenes

开辟新天地：MBene 硝基芳烃选择性乙烯基双键加氢路线

• DOI: 10.1021/jacs.3c08642
• 发表时间: 2023-12
• 期刊: Journal of the American Chemical Society
• 影响因子: 15
• 作者: Bhaskar, Gourab;Behera, Ranjan K.;Gvozdetskyi, Volodymyr;Carnahan, Scott L.;Ribeiro, Raquel A.;Oftedahl, Paul;Ward, Charles;Canfield, Paul C.;Rossini, Aaron J.;Huang, Wenyu;et al
• 通讯作者: et al

Ternary antimonide NaCd 4 Sb 3 : hydride synthesis, crystal structure and transport properties

三元锑化物NaCd 4 Sb 3 ：氢化物合成、晶体结构和传输特性

• DOI: 10.1002/zaac.202200095
• 发表时间: 2022-05
• 期刊: Zeitschrift für anorganische und allgemeine Chemie
• 作者: Courteau, Brittany;Gvozdetskyi, Volodymyr;Lee, Shannon;Cox, Tori;Zaikina, Julia V.
• 通讯作者: Zaikina, Julia V.

A Low-Temperature Structural Transition in Canfieldite, Ag 8 SnS 6 , Single Crystals

钙辉石、Ag 8 SnS 6 单晶的低温结构转变

• DOI: 10.1021/acs.inorgchem.1c03158
• 发表时间: 2021-12
• 期刊: Inorganic Chemistry
• 影响因子: 4.6
• 作者: Slade, Tyler J.;Gvozdetskyi, Volodymyr;Wilde, John M.;Kreyssig, Andreas;Gati, Elena;Wang, Lin;Mudryk, Yaroslav;Ribeiro, Raquel A.;Pecharsky, Vitalij K.;Zaikina, Julia V.;et al
• 通讯作者: et al

Lithium nickel borides: evolution of [NiB] layers driven by Li pressure

硼化锂镍：Li压力驱动的[NiB]层的演变

• DOI: 10.1039/d0qi01150a
• 发表时间: 2021-01
• 期刊: Inorganic Chemistry Frontiers
• 影响因子: 7
• 作者: Gvozdetskyi, Volodymyr;Sun, Yang;Zhao, Xin;Bhaskar, Gourab;Carnahan, Scott L.;Harmer, Colin P.;Zhang, Feng;Ribeiro, Raquel A.;Canfield, Paul C.;Rossini, Aaron J.;et al
• 通讯作者: et al