钠离子电池模型的原子构型

To study the SEI formation process with different electrolyte components, five models were constructed categorized by different electrolytes and electrodes (Na metal, Hard carbon (HC)) as follows:

1. ㊀HC // ED (1.0M NaClO₄ in EC : DME = 1 : 1 Vol%) // Na㊉;

2. ㊀HC // EDF (1.0M NaClO₄ in EC : DME = 1 : 1 Vol% with 5.0% FEC) // Na㊉;

3. ㊀HC // EPF (1.0M NaClO₄ in EC : PC = 1 : 1 Vol% with 5.0% FEC) // Na㊉;

4. ㊀Na // EDF (1.0M NaClO₄ in EC : DME = 1 : 1 Vol% with 5.0% FEC) // Na㊉;

5. ㊀Na // EPF (1.0M NaClO₄ in EC : PC = 1 : 1 Vol% with 5.0% FEC) // Na㊉.