| 摘要 |
<P>PROBLEM TO BE SOLVED: To provide a catalyst material having improved reaction-promoting effect, an electrode for an oxygen sensor including it and a manufacturing method for them. <P>SOLUTION: With a simulation model where part of a crystal structure of base atoms is substituted with a substituent atom, first adsorption energy when an atom of a target gas is disposed right on the substituent atom and second adsorption energy when an atom of the target gas is disposed right on a base atom adjacent to the substituent atom are calculated. According to the calculation result, the substituent atom with the first adsorption energy lower than the second adsorption energy and the substituent atom with the second adsorption energy lower than the first adsorption energy are classified as a first group and a second group respectively. From the classification, substituent atoms are each selected from among the first group and the second group, which substitute for part of the crystal structure of the base atoms. <P>COPYRIGHT: (C)2008,JPO&INPIT |
