Dimer-induced stabilization of H adsorbate cluster on BN(0001) surface |
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| Authors: | Weck Philippe F Kim Eunja Lepp Stephen H Balakrishnan Naduvalath Sadeghpour H R |
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| Institution: | Department of Chemistry, University of Nevada Las Vegas, 4505 Maryland Parkway, Las Vegas, NV 89154, USA. weckp@unlv.nevada.edu. |
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| Abstract: | Using first-principles calculations, we have studied successive adsorption of hydrogen atoms on a sp(2)-bonded boron nitride graphitic sheet. Our calculations show that clustering proceeds through the creation of contiguous H-H orthodimer structures stabilizing the H adsorbate cluster on the BN(0001) surface, leading eventually to the formation of hydrogen-contiguous boat-shaped quartets. |
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