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1010 积分 2023-09-14 加入
The new stable phases of Fe2Pd crystal alloy and their properties
1个月前
已完结
Reinvestigated the mechanical and thermodynamic characteristics of Zr2CN by the first-principles calculations
1个月前
已完结
Elastic and mechanical properties of hydroxyapatite under pressure: A first-principles investigation
1个月前
已完结
Prediction of structural and phase transitions of Th2CN from ambient pressure to 100 GPa: A first-principles study
1个月前
已完结
The investigation of the electronic, optical, and thermoelectric properties of the Ge‐based halide perovskite AGeI 2 Br (a = K, Rb, Cs) compound for a photovoltaic application: First principles calculations
1个月前
已完结
The electronic and mechanical properties of Fe16N2 up to 150 GPa: First-principles calculation
2个月前
已完结
First‐Principles Calculations of Pressure Effects on the Structural, Electronic, Elastic, and Thermodynamic Properties of Rb2MF6 (M = Si, Ni, Pd) Crystals
2个月前
已完结
Unraveling Lead-Free Fr-Based Perovskites FrQCl3 (Q = Ca, Sr) and their pressure induced physical properties: DFT Analysis for Advancing Optoelectronic Performance
2个月前
已完结
Exploring the phonon transport and thermoelectric properties of BAs-MXY (M=Ti, Zr, Hf; X=S, Se; Y=O) van der Waals heterostructures
2个月前
已完结
Influence of pressure on the different physical features of lead-free double perovskite materials K2SnX6 (X = Cl, and Br): DFT replication
2个月前
已完结
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