...号： O641 势能面; 吸附能; 解离; 扩散 [gap=1446]Key Words： First鄄principle; Potential energy surface; Adsorption energy; Dissociation; Diffusion ...
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adsorption energy distribution 吸附能分布
characteristic adsorption energy 特征吸附功
Mean free adsorption energy 平均吸附自由能
the constant of adsorption energy 吸附能常数
activation energy of adsorption [物化] 吸附活化能
Adsorption Free Energy 吸附自由能
Both CNH2 and HCNHare all stably absorbed on the surface with the adsorption model, however, thedifference of calculated adsorption energy between CNH2 and HCNH is quite small.
CNH2和HCNH分子以不同吸附方式稳定地吸附在表面上，两者的吸附能十分接近。
参考来源 - 氰类化合物在过渡金属表面吸附反应的密度泛函研究·2,447,543篇论文数据，部分数据来源于NoteExpress
The results indicate that the adsorption energy of PAN-ACF, which is catalytic treated by…
结果表明，先后经硫酸和氨水浸泡催化处理的PAN-ACF，其吸附能量最大且含氮量最高。
The calculated adsorption energy of the thiophenic compounds increased as 4, 6-DMDBT< DBT< TP< BT, which agrees with the experiment.
噻吩衍生物的吸附能顺序依次为，4，6-二甲基二苯并噻吩<二苯并噻吩<噻吩<苯并噻吩，与实验结果相近。
Adsorption characteristics, based on the GAB model wereanalyzed and the monolayer moisture content and adsorption energy were obtained.
并以GAB模型为基础，进一步研究了联合干燥笋片的吸附特性，确定了其单分子层水分含量和吸附能值。
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