First-principles study of phase transition and the structural, energetic and electronic properties of pristine and transition metal (Fe/Co/Ti)-doped layered MoS

• Tác giả: Patrick H-L Sit, Wenlong Xi
• Ngôn ngữ: eng
• Ký hiệu phân loại: 594.38 *Pulmonata
• Thông tin xuất bản: England : Physical chemistry chemical physics : PCCP , 2025
• Bộ sưu tập: NCBI
• ID: 179345

Tóm tắt

In this work, we apply first-principles density functional theory (DFT) calculations to study the intercalation of Na atoms into the pristine and transition metal (TM)-doped MoS