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Crystal and electro...
Crystal and electronic facet analysis of ultrafine Ni2P particles by solid-state NMR nanocrystallography
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- Papawassiliou, Wassilios (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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- Carvalho, José P. (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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Panopoulos, Nikolaos (author)
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Al Wahedi, Yasser (author)
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Shankarayya Wadi, Vijay Kumar (author)
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Lu, Xinnan (author)
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Polychronopoulou, Kyriaki (author)
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Lee, Jin Bae (author)
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Lee, Sanggil (author)
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Kim, Chang Yeon (author)
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Kim, Hae Jin (author)
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Katsiotis, Marios (author)
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Tzitzios, Vasileios (author)
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Karagianni, Marina (author)
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Fardis, Michael (author)
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Papavassiliou, Georgios (author)
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- Pell, Andrew J. (author)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK),Université de Lyon, France
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(creator_code:org_t)
- 2021-07-15
- 2021
- English.
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In: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 12:1
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https://doi.org/10.1...
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Abstract
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- Structural and morphological control of crystalline nanoparticles is crucial in the field of heterogeneous catalysis and the development of reaction specific catalysts. To achieve this, colloidal chemistry methods are combined with ab initio calculations in order to define the reaction parameters, which drive chemical reactions to the desired crystal nucleation and growth path. Key in this procedure is the experimental verification of the predicted crystal facets and their corresponding electronic structure, which in case of nanostructured materials becomes extremely difficult. Here, by employing P-31 solid-state nuclear magnetic resonance aided by advanced density functional theory calculations to obtain and assign the Knight shifts, we succeed in determining the crystal and electronic structure of the terminating surfaces of ultrafine Ni2P nanoparticles at atomic scale resolution. Our work highlights the potential of ssNMR nanocrystallography as a unique tool in the emerging field of facet-engineered nanocatalysts. Structural and morphological control of crystalline nanoparticles is crucial in heterogeneous catalysis. Applying DFT-assisted solid-state NMR spectroscopy, we determine the surface crystal and electronic structure of Ni2P nanoparticles, unveiling NMR nanocrystallography as an emerging tool in facet-engineered nanocatalysts.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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Papawassiliou, W ...
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Carvalho, José P ...
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Panopoulos, Niko ...
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Al Wahedi, Yasse ...
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Shankarayya Wadi ...
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Lu, Xinnan
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show more...
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Polychronopoulou ...
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Lee, Jin Bae
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Lee, Sanggil
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Kim, Chang Yeon
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Kim, Hae Jin
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Katsiotis, Mario ...
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Tzitzios, Vasile ...
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Karagianni, Mari ...
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Fardis, Michael
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Papavassiliou, G ...
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Pell, Andrew J.
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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Nature Communica ...
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Stockholm University