Zaifa Shi

机构：Xiamen University, Collaborative Innovation Center of Chemistry for Energy Materials · ORCID：0000-0002-7905-4866

发表论文 42 篇 · 总被引 774 次 · h-index 13

代表论文

• First-principles study of mechanical, electronic structure, and optical properties for cubic fluoroperovskite XMgF3 (X=Al, Ga, In, Tl) under high pressure* (2024 · Materials Science in Semiconductor Processing · 被引 38)
• Electronic structure, mechanical, optical, and thermodynamic characteristics of cubic perovskite LiMgF3 under pressure effect calculated first-principles (2023 · Physica B Condensed Matter · 被引 37)
• First principles study on the structure, hydrogen storage, and physical properties of X2VH6 (X = Mg, Ca, Sr, Ba) perovskite hydrides for hydrogen storage applications (2025 · International Journal of Hydrogen Energy · 被引 33)
• First-principles investigation of the ultra-wide band gap halides perovskite XBeF3 (X = Na, K) with pressure effects (2023 · Physica Scripta · 被引 26)
• A DFT approach to explore the structural, mechanical, and optoelectronic of indium-based InXY3 (X = Ca, Sr, Ba; Y = Cl, Br) halide perovskites for photoelectric applications (2025 · Physics Letters A · 被引 23)
• Pressure induced variations from semiconducting to metallic for halide perovskite NaBeCl3 by first-principle calculations (2023 · Materials Today Communications · 被引 18)