氮化铂的Laser烧蚀产物及其可能结构
The Laser Ablation Production of Platinum Nitride and its Possible Structure
摘要：
本文报道了用激光烧蚀法合成氮化铂。光谱结果表明，氮是作为N-单元的铂的间隙网站，矛盾的PtN 2的公认的配置，它是作为N2-单元。为了阐明这一点，我们做了密度泛函计算，以关联组成与氮的网站。对于稀氮浓度，x < 0.2，氮将作为N-单元位于六重配位位点（八面体间隙）。对于0.2 < x < 1.5，氮将作为N-单元存在于四面体间隙中。只有当x > 1.5时，才能得到八面体位置的N2-构型。
英文摘要：
The synthesis of platinum nitride by the laser ablation method is reported. The spectroscopic results show that nitrogen is in interstitial sites of platinum as N-units, contradicting the accepted configuration for PtN2 where it is as N2-units. To elucidate this point we did density functional calculations to correlate composition with nitrogen sites. For dilute nitrogen concentrations, x < 0.2, nitrogen would be in six-fold coordinated sites (octahedral interstices) as N-units. For 0.2 < x < 1.5, nitrogen would be in tetrahedral interstices as N-units. Only for x > 1.5 the N2-configuration in octahedral sites is attained.
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