After more than one hundred fifty years of the publication of On the Origin of Species by Darwin, scientists are still arguing on the relative importance of mutation and natural selection, on the driving force of orga...After more than one hundred fifty years of the publication of On the Origin of Species by Darwin, scientists are still arguing on the relative importance of mutation and natural selection, on the driving force of organismal evolution, on microevo- lution and macroevolution, etc. Such periodically repeated debates appeared to have introduced more chaos than musings. What happened and why？ Have we really considered our views, opinions and arguments under the big picture of evolution before pos- ing the questions？ Or are we talking past each other？ We do need some reflections. While we believe that the current evolutionary theory is doing fine, perhaps a refinement or re-encapsulation of its knowledge framework can help promote a better understanding of the evolutionary science as a whole and blow offthe mist over the big picture [Current Zoology 61 （1）： 217-220, 2015 ].展开更多
Spin-polarized density functional theory （DPT） calculations are carried out to determine the site preference of H adsorption on Pd（100） surface and subsurface, We carefully scrutinize the energy difference between...Spin-polarized density functional theory （DPT） calculations are carried out to determine the site preference of H adsorption on Pd（100） surface and subsurface, We carefully scrutinize the energy difference between different patterns at θ=0.50 ML and confirm the LEED observation that surface adsorption can form c（2×2） ordering structure. On the contrary, we disclose that p（2×1） structure become more favorable than c（2×2） for subsurface adsorption. These site preferences are rationalized via an analysis of the layer and orbital resolved density of states. Furthermore, we propose that the interstitial charge as a key factor determining the preferred H adsorbed site.展开更多
文摘After more than one hundred fifty years of the publication of On the Origin of Species by Darwin, scientists are still arguing on the relative importance of mutation and natural selection, on the driving force of organismal evolution, on microevo- lution and macroevolution, etc. Such periodically repeated debates appeared to have introduced more chaos than musings. What happened and why？ Have we really considered our views, opinions and arguments under the big picture of evolution before pos- ing the questions？ Or are we talking past each other？ We do need some reflections. While we believe that the current evolutionary theory is doing fine, perhaps a refinement or re-encapsulation of its knowledge framework can help promote a better understanding of the evolutionary science as a whole and blow offthe mist over the big picture [Current Zoology 61 （1）： 217-220, 2015 ].
基金supported by the National Nature Science Foundation of China(21131005,20925103,21373167,21033006,21133004,21333008)the Fundamental Research Funds of Central Universities
文摘Spin-polarized density functional theory （DPT） calculations are carried out to determine the site preference of H adsorption on Pd（100） surface and subsurface, We carefully scrutinize the energy difference between different patterns at θ=0.50 ML and confirm the LEED observation that surface adsorption can form c（2×2） ordering structure. On the contrary, we disclose that p（2×1） structure become more favorable than c（2×2） for subsurface adsorption. These site preferences are rationalized via an analysis of the layer and orbital resolved density of states. Furthermore, we propose that the interstitial charge as a key factor determining the preferred H adsorbed site.
