Orbital Engineering of π–d Conjugation in One‐Dimensional Metal–Organic Materials for Lithium‐Ion Batteries: A DFT Study
Mingli Li, Di Zhao, Lei Zhang, Pan Yang, Feixue Han, Zhenzhen Wu, Shanqing Zhang, Yun Wang · 2026
Read Orbital Engineering of π–d Conjugation in One‐Dimensional Metal–Organic Materials for Lithium‐Ion Batteries: A DFT Study by Mingli Li, Di Zhao, Lei Zhang, Pan Yang, Feixue Han, Zhenzhen Wu, Shanqing Zhang, Yun Wang (2026) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/pmc-13553211.txt.
Description
Mingli Li and co-authors used computer modeling in 2026 to study materials that mix metal and organic parts for lithium batteries. The key trait is how the metal and the linked chains share electrons. That sharing affects how well lithium sticks and how the electrode works.
A nickel-based chain served as the test case. Bridges made of sulfur linked metal and chains most strongly, ahead of oxygen and nitrogen bridges. Adding groups that pull electrons away made the sharing stronger, while groups that push electrons weakened it. The authors offer a design rule that pairs bridge choice with chain tuning. Such rules could guide the search for better electrode materials.
Catalog record
| CREATOR | Mingli Li, Di Zhao, Lei Zhang, Pan Yang, Feixue Han, Zhenzhen Wu, Shanqing Zhang, Yun Wang |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 26 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |