サイエンス
AIの限界を突破した人間の直感。超伝導体探索のルールを変える「ホモロガス系列」とは
アルゴンヌ国立研究所とノースウェスタン大学の共同研究チームは、AIが苦手とする未知の結晶構造設計に挑戦し、人間の直感と深い化学的理解に基づいた「合成の科学」を実証した。彼らは、単一の化学式内で原子のパズルを組み替えることで、規則的に連なる10種類の全く新しい結晶構造を持つホモロガス系列を連続的に生み出すことに成功した。この成果は、次世代材料開発を飛躍的に加速させる道標となるだろう。
Term
Xiuquan Zhou
Overview
最終更新: 2026年7月9日アルゴンヌ国立研究所に所属する若手研究者。バリウム、アンチモン、硫黄、テルルを用いた化合物の合成実験において、同一の組成比から10種類もの異なる結晶構造（ホモロガス系列）が出現することを発見し、その実証において中心的な役割を担った。
Mentioned Articles
1 件Research Papers
5 件- All-temperature batteries enabled by fluorinated electrolytes with non-polar solvents
- Designing In-Situ-Formed Interphases Enables Highly Reversible Cobalt-Free LiNiO2 Cathode for Li-ion and Li-metal Batteries
Summary Cathode materials control both the energy density and cost of Li-ion and Li-metal batteries. The cobalt-free LiNiO2 with relatively low cost and extremely high theoretical energy density (∼1,050 Wh kg−1) is one of the most promising cathode materials for high-energy batteries. However, the continuous Ni dissolution, structural disordering, particle cracking, and unstable cathode electrolyte interphase (CEI) hinder its applications. Here, we surmount these challenges by forming a robust fluoride (F)- and boron (B)-rich CEI on LiNiO2 using a high-fluorinated electrolyte with LiDFOB additive. The LiNiO2 cathode maintains an unprecedentedly high capacity retention of >80% after 400 deep cycles at a high charge cut-off voltage of 4.4 V (versus Li/Li+). In addition, the electrolyte forms an F- and B-rich interphase on the Li metal and graphite anodes, allowing stable cycling of full cells. This work sheds light on designing interfacial chemistry for high-energy cathodes, and its principle is applicable for other alkali metal ion cathodes.
- Structure and Interface Design Enable Stable Li-Rich Cathode.
Li-rich layered-oxide cathodes have the highest theoretical energy density among all the intercalated cathodes, which have attracted intense interests for high energy Li-ion batteries. However, O3-structured layered-oxide cathodes suffer from a low initial Coulombic efficiency (CE), severe voltage fade, and poor cycling stability because of the continuous oxygen release, structural rearrangements due to irreversible transition-metal migration, and serious side reactions between the delithiated cathode and electrolyte. Herein, we report that these challenges are migrated by using a stable O2-structured Li1.2Ni0.13Co0.13Mn0.54O2 (O2-LR-NCM) and all-fluorinated electrolyte. The O2-LR-NCM can restrict the transition metals migrating into the Li layer and the in situ formed fluorinated cathode electrolyte interphase (CEI) on the surface of the O2-LR-NCM from the decomposition of all-fluorinated electrolyte during initial cycles effectively restrains the structure transi-tion, suppresses the O2 release, and thereby safeguards the transition metal redox couples, enabling a highly reversible and stable oxygen redox reaction. O2-LR-NCM in all fluorinated electrolytes achieves a high initial CE of 99.82 % and cycling CE of and cycling CE of >99.9%, high reversible capacity of 278 mAh/g, and high capacity retention of 83.3% after 100 cycles. The synergic design of electrolyte and cathode structure represents a promising direction to stabilize high-energy cathodes.
- Self-Templated Formation of P2-type K0.6CoO2 Microspheres for High Reversible Potassium-Ion Batteries.
- Discovery of chalcogenides structures and compositions using mixed fluxes