Institute of Atomic and Molecular Physics, Sichuan University , Chengdu 610065, China.
Inorg Chem. 2013 Dec 2;52(23):13356-62. doi: 10.1021/ic4014834. Epub 2013 Nov 19.
We report a general synthetic route to well-crystallized metal nitrides through a high-pressure solid-state metathesis reaction (HPSSM) between boron nitride (BN) and ternary metal oxide A(x)M(y)O(z) (A = alkaline or alkaline-earth metal and M = main group or transition metal). On the basis of the synthetic metal nitrides (Fe3N, Re3N, VN, GaN, CrN, and W(x)N) and elemental products (graphite, rhenium, indium, and cobalt metals), the HPSSM reaction has been systematically investigated with regard to its general chemical equation, reaction scheme, and characteristics, and its thermodynamic considerations have been explored by density functional theory (DFT) calculations. Our results indicate that pressure plays an important role in the synthesis, which involves an ion-exchange process between boron and the metal ion, opening a new pathway for material synthesis.
我们报告了一种通过氮化硼 (BN) 和三元金属氧化物 A(x)M(y)O(z)（A = 碱金属或碱土金属，M = 主族或过渡金属）之间的高压固态复分解反应 (HPSSM) 合成结晶良好的金属氮化物的通用方法。基于合成的金属氮化物（Fe3N、Re3N、VN、GaN、CrN 和 W(x)N）和元素产物（石墨、铼、铟和钴金属），我们系统地研究了 HPSSM 反应的一般化学方程式、反应方案和特性，并通过密度泛函理论 (DFT) 计算探讨了其热力学考虑因素。我们的结果表明，压力在合成中起着重要作用，其中涉及硼和金属离子之间的离子交换过程，为材料合成开辟了新途径。
