CAJ | 학술논문

研究了熔融盐状态下金属氯化物-石墨层间化合物的合成判据.根据插层反应热动力学及化学键理论,选取元素的电负性和离子势作为键参数,并设计键参数函数λ为客体材料的遴选判据.基于键参数函数图对金属氯化物发生插层反应的难易程度和产物稳定性进行理论预估.研究结果表明:键参数函数图中λ≤1.2区域内的金属氯化物在700℃以下即可发生插层反应,且所得产物较为稳定;在1.2≤λ≤1.8区域内相应的客体材料在低温下很难单独插入石墨层间,常与低熔点氯化物形成共熔体后一起插入石墨层间;在λ≥1.8区域内大多为碱金属氯化物和碱土金属氯化物,理论分析认为这类物质的插层反应不适宜采用熔盐法.
연구료용융염상태하금속록화물-석묵층간화합물적합성판거.근거삽층반응열동역학급화학건이론,선취원소적전부성화리자세작위건삼수,병설계건삼수함수λ위객체재료적린선판거.기우건삼수함수도대금속록화물발생삽층반응적난역정도화산물은정성진행이론예고.연구결과표명:건삼수함수도중λ≤1.2구역내적금속록화물재700℃이하즉가발생삽층반응,차소득산물교위은정;재1.2≤λ≤1.8구역내상응적객체재료재저온하흔난단독삽입석묵층간,상여저용점록화물형성공용체후일기삽입석묵층간;재λ≥1.8구역내대다위감금속록화물화감토금속록화물,이론분석인위저류물질적삽층반응불괄의채용용염법.
A criterion for the intercalation of a metal chloride in a molten state into graphite was proposed based on the thermodynamics of the intercalation reaction and chemical band theory, The valence electronegativity of element and ionic potential are taken as the chemical band parameters and a band parameter function λ is defined as a criterion to select a guest metal chloride to prepare a graphite intercalation compound (GIC). The ability of a metal chloride to be intercalated into graphite and the stability of the resulting GIC are estimated. The results show that GICs synthesized at a temperature lower than 700℃ are more stable when a metal chloride is chosen from the region of λ≤1.2. A metal chloride with λ between 1.2 and 1.8 cannot be easily intercalated into graphite alone. The metal chlorides with λ≥1.8, most of which are alkaline earth chlorides or alkali metal chlorides, are not appropriate as guests to prepare G1Cs by a molten salt method. The criterion is consistent with the experimental data and some new expected results are also obtained.