H2O在Fe3O4 (111)表面吸附的结构及热力学研究
H2O재Fe3O4 (111)표면흡부적결구급열역학연구
Structures and energetics of H2O adsorption on the Fe3O4 (111) surface
  • 万方数据
    燃料化学学报 연료화학학보
    JOURNAL OF FUEL CHEMISTRY AND TECHNOLOGY
    2009年 4期 506-512 ,共7页

    杨涛%温晓东%曹东波%李永旺%王建国%霍春芳

    양도%온효동%조동파%리영왕%왕건국%곽춘방

    Fe3O4(111)%H2O%吸附%密度泛函理论 Fe3O4(111)%H2O%吸附%密度汎函理論
    Fe3O4(111)%H2O%흡부%밀도범함이론
    Fe3O4 (111)%H2O%adsorption%DFT
    结表面比吸附在Feoct2-终结表面热力学上更有利.此外,通过计算局域态密度(LDOS)对吸附机理进行了分析.
    결표면비흡부재Feoct2-종결표면열역학상경유리.차외,통과계산국역태밀도(LDOS)대흡부궤리진행료분석.
    an the Feoct2-terminated surface for water adsorption. The adsorption mechanism has been analyzed on the basis of the calculated local density of state.
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