Computational investigation of NH3 adsorption and dehydrogenation on a W-modified Fe(111) surface
2015 ◽
Vol 17
(45)
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pp. 30598-30605
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Keyword(s):
We employed monolayer tungsten metal to modify the Fe(111) surface, denoted as W@Fe(111), and calculated the adsorption and dehydrogenation behaviors of NH3 on W@Fe(111) surface via first-principles calculations based on density functional theory (DFT).
2017 ◽
Vol 19
(5)
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pp. 3679-3687
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2014 ◽
Vol 1015
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pp. 377-380
2020 ◽
Vol 22
(17)
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pp. 9677-9684
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2017 ◽
Vol 19
(23)
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pp. 15021-15029
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