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Part 1: Document Description
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Citation |
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Title: |
Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface |
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Identification Number: |
doi:10.18419/darus-2119 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2021-09-30 |
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Version: |
1 |
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Bibliographic Citation: |
Rieg, Carolin, 2021, "Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface", https://doi.org/10.18419/darus-2119, DaRUS, V1 |
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Citation |
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Title: |
Publication data of C1 group for: Quantitative Distinction between Noble Metals Located in Mesopores from those on the external Surface |
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Identification Number: |
doi:10.18419/darus-2119 |
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Authoring Entity: |
Rieg, Carolin (Universität Stuttgart) |
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Other identifications and acknowledgements: |
Dittmann, Daniel |
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Other identifications and acknowledgements: |
Li, Zheng |
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Other identifications and acknowledgements: |
Lawitzki, Robert |
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Other identifications and acknowledgements: |
Gugeler, Katrin |
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Other identifications and acknowledgements: |
Maier, Sarah |
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Other identifications and acknowledgements: |
Schmitz, Guido |
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Other identifications and acknowledgements: |
Kästner, Johannes |
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Other identifications and acknowledgements: |
Estes, Deven P. |
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Other identifications and acknowledgements: |
Dyballa, Michael |
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Grant Number: |
358283783 - SFB 1333 |
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Distributor: |
DaRUS |
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Access Authority: |
Dyballa, Michael |
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Depositor: |
Rieg, Carolin |
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Date of Deposit: |
2021-08-23 |
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Holdings Information: |
https://doi.org/10.18419/darus-2119 |
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Study Scope |
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Keywords: |
Chemistry, Heterogeneous Catalysis |
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Topic Classification: |
Chemical Engineering, Physical Chemistry |
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Abstract: |
All primary data files of measurements and processed data of the journal article mentioned under related publications from Dyballa group can be found here. Data from collaborating groups, especially the Kästner (C4) and the Schmitz group (C3), can be found in the same dataset.<br/> The dataset contains the measurement results from <a href="http://purl.obolibrary.org/obo/CHMO_0000156">XRD</a>, <a href="http://purl.obolibrary.org/obo/CHMO_0000267">ICP-OES</a>, H2-<a href="http://purl.obolibrary.org/obo/REX_0000208">Chemisorption</a>, N2-<a href="http://purl.obolibrary.org/obo/REX_0000207">Physisorption</a>, <a href="http://purl.obolibrary.org/obo/CHMO_0000615">MAS-NMR</a>, <a href="http://purl.obolibrary.org/obo/CHMO_0000073">SEM</a> and <a href="http://purl.obolibrary.org/obo/CHMO_0000080">TEM</a>. <br/> The NMR data (jcampdx-files) can be opened with, e.g., TopSpin software. <br/> The TEM images are recorded by the Schmitz group (C3) are stored in the folder "TEM". The file Simulation_data.tgz includes all relevant files from all theoretical calculations at <a href="https://www.wikidata.org/wiki/Q1048589">DFT</a> and semi-empirical <a href="https://www.wikidata.org/wiki/Q89023161">GFN2-xTB</a> level, geometry optimization and single-point energy calculations. Those data were provided by the Kästner group; Katrin Gugeler and Johannes Kästner. <br/> The additional information "parent" in the file names signifies that the materials are not modified by noble metals. The additional information "in" and "out" indicate that the materials are prepared in such a way that the noble metal nanoparticles are located mainly inside the pores ("in") or on the external surface ("out"). |
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Kind of Data: |
experimental data / simulation data |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
C. Rieg, D. Dittmann, Z. Li, R. Lawitzki, K. Gugeler, S. Maier, G. Schmitz, J. Kästner, D. P. Estes, M. Dyballa, Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface. Chemistry - A Eurorean Journal 2021. |
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Identification Number: |
10.1002/chem.202102076 |
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Bibliographic Citation: |
C. Rieg, D. Dittmann, Z. Li, R. Lawitzki, K. Gugeler, S. Maier, G. Schmitz, J. Kästner, D. P. Estes, M. Dyballa, Quantitative Distinction between Noble Metals Located in Mesopores from Those on the External Surface. Chemistry - A Eurorean Journal 2021. |
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H2chem_0.7Pt_MCM-41_out.crw |
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application/octet-stream |
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H2chem_0.7Pt_MCM-41_out.txt |
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text/plain |
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H2chem_0.8Pt_SBA-15_in.crw |
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application/octet-stream |
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H2chem_0.8Pt_SBA-15_in.txt |
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text/plain |
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H2chem_0.9Rh_A200.crw |
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application/octet-stream |
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H2chem_0.9Rh_A200.txt |
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text/plain |
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H2chem_1.0Pt_MCM-41_in.crw |
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application/octet-stream |
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H2chem_1.0Pt_MCM-41_in.txt |
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text/plain |
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H2chem_1.1Pd_A200.crw |
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application/octet-stream |
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H2chem_1.1Pd_A200.txt |
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text/plain |
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H2chem_1.6Pt_A200.crw |
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application/octet-stream |
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H2chem_1.6Pt_A200.txt |
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text/plain |
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ICP-OES_0.7Pt_MCM41_out+1.0Pt_MCM41_in.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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ICP-OES_0.8Pt_SBA15_in.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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ICP-OES_1.0Rh_A200.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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ICP-OES_1.6Pt_A200.xlsx |
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application/vnd.openxmlformats-officedocument.spreadsheetml.sheet |
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N2phys_A200.pdf |
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application/pdf |
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N2phys_ASA.pdf |
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application/pdf |
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N2phys_MCM-41.pdf |
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application/pdf |
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N2phys_MCM-41_P123.pdf |
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N2phys_MCM-41_saccharose.pdf |
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N2phys_MCM-41_TEOS.pdf |
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N2phys_SBA-15.pdf |
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application/pdf |
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N2phys_SBA-15_P123.pdf |
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N2phys_SBA-15_saccharose.pdf |
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application/pdf |
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N2phys_SBA-15_TEOS.pdf |
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application/pdf |
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CR-0412+CR-0413.dx |
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overviewNMR.txt |
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T0529P31.dx |
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T0533P31.dx |
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T0971P31.dx |
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T0981P31.dx |
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T0989P31.dx |
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T0991P31.dx |
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application/octet-stream |
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SEM_ASA_1.jpg |
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image/jpeg |
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SEM_ASA_2.jpg |
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image/jpeg |
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SEM_MCM-41_1.tif |
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image/tiff |
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SEM_MCM-41_2.tif |
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image/tiff |
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SEM_SBA-15_1.tif |
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image/tiff |
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SEM_SBA-15_2.tif |
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image/tiff |
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Simulation_data.tgz |
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Text: |
This dataset includes all relevant files from all theoretical calculations at DFT level and semi-empirical GFN2-xTB level. The DFT-calculations were done with Turbomole, the results are in the folder "opt_b3lyp". Results from conformer-variation with GFN2-xTB can be found in the folder "crest". In the folder "spe" single-point energy calculations are listed. |
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application/gzip |
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TEM_Fig1_Pt_MCM-41_in_1.tif |
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image/tiff |
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TEM_Fig1_pt_MCM-41_in_2.tif |
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image/tiff |
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TEM_Fig1_Pt_MCM-41_out_1.tif |
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image/tiff |
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TEM_Fig1_Pt_MCM-41_out_2.tif |
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image/tiff |
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TEM_Fig5_MCM-41_P123.tif |
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image/tiff |
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TEM_Fig5_MCM-41_parent.tif |
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image/tiff |
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TEM_Fig5_MCM-41_saccharose.tif |
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image/tiff |
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TEM_Fig5_MCM-41_TEOS.tif |
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image/tiff |
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TEM_Fig5_SBA-15_P123.tif |
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image/tiff |
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TEM_Fig5_SBA-15_parent.tif |
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image/tiff |
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TEM_Fig5_SBA-15_saccharose.tif |
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image/tiff |
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TEM_Fig5_SBA-15_TEOS.tif |
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image/tiff |
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TEM_S7_PtA200_1.tif |
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image/tiff |
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TEM_S7_PtA200_2.tif |
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image/tiff |
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XRD_MCM-41_calcined.raw |
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application/octet-stream |
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XRD_MCM-41_calcined.txt |
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text/plain |
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XRD_Pt_MCM-41.raw |
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application/octet-stream |
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XRD_Pt_MCM-41.txt |
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XRD_Pt_SBA-15.raw |
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application/octet-stream |
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XRD_Pt_SBA-15.txt |
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XRD_SBA15_calcined.raw |
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XRD_SBA15_calcined.txt |
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XRD_TEOS_MCM-41.raw |
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XRD_TEOS_MCM-41.txt |
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XRD_TEOS_SBA-15.raw |
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XRD_TEOS_SBA-15.txt |
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text/plain |