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- W2904706400 abstract "Zeolites are nanoporous aluminosilicates widely used in catalysis and separations applications. Though generally formed as 3D crystals, new synthesis techniques have given access to 2D zeolite nanosheets with small diffusion path lengths and accelerated molecular diffusion. Since most previous research has focused on bulk zeolite crystals, there is little understanding of the surface adsorption and diffusion mechanisms likely involved at such length scales and their contributions to the permeability and selectivity of different species. To enable the systematic examination of such surface properties, we constructed a database of more than 800,000 computation-ready 2D zeolite nanosheets from the full range of known zeolite structures in the IZA database of zeolite structure types. The nanosheet surfaces cover a wide range of orientations and were created via the principle of minimizing the number of bonds broken during the termination of a unit cell. The database consists of two sets of nanosheets: one set with known heights and unrelaxed surfaces and another set with arbitrary heights and relaxed surfaces. As an initial example of the utility of this database, we generated equilibrium Wulff shapes for 203 3D zeolite structure types in the International Zeolite Association (IZA) database." @default.
- W2904706400 created "2018-12-22" @default.
- W2904706400 creator A5031523641 @default.
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- W2904706400 creator A5036197373 @default.
- W2904706400 creator A5049370820 @default.
- W2904706400 date "2018-12-10" @default.
- W2904706400 modified "2023-09-23" @default.
- W2904706400 title "Database of Computation-Ready 2D Zeolitic Slabs" @default.
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- W2904706400 cites W1811646227 @default.
- W2904706400 cites W1950726183 @default.
- W2904706400 cites W1973635673 @default.
- W2904706400 cites W1974807000 @default.
- W2904706400 cites W1984979299 @default.
- W2904706400 cites W1987233380 @default.
- W2904706400 cites W1988916291 @default.
- W2904706400 cites W1989530975 @default.
- W2904706400 cites W1995948118 @default.
- W2904706400 cites W1996345881 @default.
- W2904706400 cites W2002103277 @default.
- W2904706400 cites W2002739222 @default.
- W2904706400 cites W2006308582 @default.
- W2904706400 cites W2007666697 @default.
- W2904706400 cites W2008417577 @default.
- W2904706400 cites W2012106279 @default.
- W2904706400 cites W2014700583 @default.
- W2904706400 cites W2017488677 @default.
- W2904706400 cites W2019082681 @default.
- W2904706400 cites W2019926744 @default.
- W2904706400 cites W2021871400 @default.
- W2904706400 cites W2022536523 @default.
- W2904706400 cites W2023023112 @default.
- W2904706400 cites W2025906375 @default.
- W2904706400 cites W2027770969 @default.
- W2904706400 cites W2033644257 @default.
- W2904706400 cites W2041616276 @default.
- W2904706400 cites W2049415380 @default.
- W2904706400 cites W2057562773 @default.
- W2904706400 cites W2058006382 @default.
- W2904706400 cites W2059766039 @default.
- W2904706400 cites W2064735079 @default.
- W2904706400 cites W2065987694 @default.
- W2904706400 cites W2068523663 @default.
- W2904706400 cites W2069444946 @default.
- W2904706400 cites W2075878326 @default.
- W2904706400 cites W2084879615 @default.
- W2904706400 cites W2084888219 @default.
- W2904706400 cites W2085200411 @default.
- W2904706400 cites W2085627881 @default.
- W2904706400 cites W2092378068 @default.
- W2904706400 cites W2092434738 @default.
- W2904706400 cites W2106579485 @default.
- W2904706400 cites W2107681453 @default.
- W2904706400 cites W2108209975 @default.
- W2904706400 cites W2116926485 @default.
- W2904706400 cites W2122372873 @default.
- W2904706400 cites W2132445456 @default.
- W2904706400 cites W2138366396 @default.
- W2904706400 cites W2142617550 @default.
- W2904706400 cites W2161710229 @default.
- W2904706400 cites W2168363974 @default.
- W2904706400 cites W2181094144 @default.
- W2904706400 cites W2285462046 @default.
- W2904706400 cites W2313253995 @default.
- W2904706400 cites W2316583937 @default.
- W2904706400 cites W2321077922 @default.
- W2904706400 cites W2323599744 @default.
- W2904706400 cites W2326478309 @default.
- W2904706400 cites W2333046275 @default.
- W2904706400 cites W2333787883 @default.
- W2904706400 cites W2339540635 @default.
- W2904706400 cites W2518696367 @default.
- W2904706400 cites W2529094975 @default.
- W2904706400 cites W2530529073 @default.
- W2904706400 cites W2596096760 @default.
- W2904706400 cites W2599535880 @default.
- W2904706400 cites W2754235663 @default.
- W2904706400 cites W2755605786 @default.
- W2904706400 cites W2786192895 @default.
- W2904706400 cites W4249880988 @default.
- W2904706400 cites W4381113538 @default.
- W2904706400 cites W4982720 @default.
- W2904706400 cites W580612683 @default.
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- W2904706400 doi "https://doi.org/10.1021/acs.chemmater.8b03290" @default.
- W2904706400 hasPublicationYear "2018" @default.
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