Prediction of Gadolinium Polynitrides at High Pressures as High-Energy-Density Materials.

• Tác giả: Zhihui Li, Shuang Liu, Jiamei Song, Xiaomin Su, Yuanyuan Wang, Ye Yang, Haodi Zhang
• Ngôn ngữ: eng
• Ký hiệu phân loại: 573.1636 *Circulatory system
• Thông tin xuất bản: Switzerland : Molecules (Basel, Switzerland) , 2025
• Bộ sưu tập: NCBI
• ID: 79100

Tóm tắt

Pressure-induced nitrogen-rich compounds hold significant application prospects in high-energy-density materials. Utilizing first-principles calculations and swarm-intelligence structure search methods, we have identified ten new types of Gd-N compounds with different configurations, such as one-dimensional N-chains composed of N