DOI: 10.1021/acscatal.9b03599. “Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors

“Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors

10.1021/acscatal.9b03599

Crossref journal-article

American Chemical Society (ACS)

ACS Catalysis (316)

Bibliography

Timoshenko, J., & Frenkel, A. I. (2019). âInvertingâ X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors. ACS Catalysis, 9(11), 10192â10211.

Authors 2

Janis Timoshenko (first)
Anatoly I. Frenkel (additional)

References 200 Referenced 141

10.1126/science.1164170
10.1007/s11244-018-1057-4
10.1002/cctc.201600996
10.1002/smll.201703609
10.1021/acs.jpclett.9b00475
10.1021/ja5051555
10.1021/ja106679z
10.1039/C5CY00932D
10.1021/acs.jpcc.8b12442
10.1126/science.aad4998
10.1021/ja1064262
10.1126/science.1240148
{'key': 'ref13/cit13', 'first-page': '1', 'volume-title': 'Studies in Surface Science and Catalysis', 'volume': '130', 'author': 'Topsøe H.', 'year': '2000'} / Studies in Surface Science and Catalysis by Topsøe H. (2000)
10.1039/B204494C
10.1039/b309654h
10.1016/j.cattod.2005.11.076
10.1002/adma.201101803
10.1038/s41929-018-0056-y
10.1021/acscatal.8b01708
10.1038/s41586-018-0337-2
10.1021/acs.jpclett.7b02364
10.1016/0304-3991(95)00024-U
10.1111/j.1365-2818.1991.tb03127.x
10.1021/jp060371n
10.1039/C5SC01424G
10.1126/science.1135080
10.1063/1.1432688
10.1021/cr2000898
10.1016/j.cattod.2016.02.065
10.1039/c2cp41339f
10.1021/acsnano.5b00090
10.1016/j.cattod.2016.05.049
10.1103/PhysRevB.81.115451
10.1023/A:1019196908404
10.1103/PhysRevB.76.104110
10.1023/A:1013849814153
10.1021/jp0223051
10.1021/jp963949+
10.1088/1742-6596/93/1/012045
10.1039/c2jm16175c
10.1063/1.2644604
10.1080/08940880802667874
10.1103/PhysRevB.46.687
{'volume-title': 'X-Ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES', 'year': '1988', 'author': 'Stern E.', 'key': 'ref44/cit44'} / X-Ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES by Stern E. (1988)
10.1107/S0909049505012719
10.1146/annurev-anchem-061318-114929
10.1103/PhysRevB.48.585
10.1088/0953-8984/14/12/321
10.1006/jcat.1993.1147
10.1016/0920-5861(94)80033-2
10.7567/JJAPS.32S2.95
10.1103/PhysRevLett.64.3155
10.1039/c3sc50614b
10.1021/acs.jpcc.9b05037
10.1038/nmat2132
10.1016/0039-6028(68)90119-2
10.1524/zkri.2007.222.11.605
10.1063/1.2644651
10.1107/S2052252514021101
10.1103/PhysRevLett.120.225502
10.1007/978-3-642-55315-8_7 / Synchrotron Radiation Basics, Methods and Applications by Benfatto M. (2015)
10.1051/jp4/1997163
10.1063/1.1473193
10.1021/jp040366o
10.1107/S1600577514013526
10.1038/44565
10.1016/S0893-6080(00)00026-5
10.1039/C6CP04030F
10.1016/j.aca.2012.12.028
10.1016/j.aca.2014.06.050
10.1016/j.cattod.2013.10.077
10.1107/S0909049599000795
10.1246/bcsj.58.2113
10.1017/S1431927616000179
10.1038/sdata.2018.151
10.1103/PhysRevB.58.7565
10.1103/PhysRevB.52.15122
10.1016/j.ccr.2004.02.014
10.1039/b926434e
10.1103/PhysRevB.83.115106
10.1103/PhysRevB.82.205104
10.1103/PhysRevB.71.165110
10.1088/0953-8984/21/10/104201
10.1016/j.micron.2010.06.005
10.1103/PhysRevLett.118.096402
10.1103/PhysRevLett.80.794
10.1038/s41524-019-0176-1
10.1016/j.cattod.2018.10.071
10.1088/0953-8984/21/34/345501
10.1038/s41524-018-0067-x
10.1016/j.commatsci.2014.10.037
10.1016/j.commatsci.2012.10.028
10.1063/1.4812323
10.1038/s41524-017-0006-2
10.1039/C9ME00043G
10.1103/PhysRevMaterials.3.033604
10.1038/nature14539
Kingma, D. P.; Ba, J., Adam: A Method for Stochastic Optimization. 2014 arXiv:1412.6980. arXiv.org e-Print archive. https://arxiv.org/abs/1412.6980.
{'volume-title': 'Experimental analysis solutions for leading experimental technques', 'year': '2019', 'author': 'Lin Y.', 'key': 'ref99/cit99'} / Experimental analysis solutions for leading experimental technques by Lin Y. (2019)
10.1038/s41598-018-30994-6
10.1038/s41524-017-0057-4
10.1109/TSMCC.2012.2220963
10.1007/BF01192574
10.1023/A:1023060720156
10.1007/s10858-007-9166-6
10.1021/acs.jctc.5b01006
10.1021/acsnano.7b07504
10.1016/j.radphyschem.2018.11.003
10.1021/acs.jpcc.8b07952
10.1088/2515-7639/ab0b68
10.1016/j.radphyschem.2019.108430
10.1103/PhysRevB.82.155450
10.1103/PhysRevB.84.245438
10.1021/ja809182v
10.1021/acs.jpcc.9b00945
10.1021/acs.langmuir.7b03984
10.1063/1.5020301
10.1021/acs.jpcc.7b01835
10.1021/acscatal.5b01816
10.1021/ja500328k
10.1103/PhysRevLett.56.2076
10.1063/1.2126666
10.1524/zkri.220.5.567.65075
10.1063/1.4978500
10.1107/S1600577516001181
10.1088/0953-8984/26/5/055401
10.1016/j.actamat.2014.07.029
10.2478/s11534-010-0074-0
10.1088/1742-6596/190/1/012080
10.1016/j.radphyschem.2018.12.032
10.1515/zpch-2015-0664
10.1039/C8NR04866E
10.1103/PhysRevB.86.174114
10.1016/j.ssc.2010.09.027
10.1039/C5NR04678E
10.1088/0953-8984/21/5/055401
10.1021/acs.nanolett.8b04461
10.1016/j.cpc.2008.12.020
10.1103/PhysRevB.71.094110
10.1021/cr050972v
10.1021/ja064207p
10.1021/acs.jpclett.7b01446
10.1103/PhysRevB.78.121404
10.1039/c2cs35174a
10.1103/PhysRevB.75.085428
10.1016/j.cplett.2008.11.077
10.1002/9781119148739.ch4
10.1080/08927022.2018.1450982
10.1017/S1431927618014629
10.1088/1742-6596/712/1/012070
10.1021/es990787x
10.1007/s11244-018-1036-9
10.1063/1.3040271
10.1021/jp1064825
10.1021/j100033a032
10.1007/s00216-003-1987-x
10.1016/j.apcata.2009.11.015
10.1039/C4CY00197D
10.1002/cctc.201200356
10.1002/anie.201709552
10.1039/C1CY00277E
10.1021/jacs.8b08071
10.1107/S0909049599000965
10.1021/ja0301673
10.1016/0169-7439(95)00047-X
10.1016/j.chemolab.2014.10.003
10.1039/C7SC02266B
10.1021/cs501799p
10.1021/jacs.6b11872
10.1021/jacs.7b07437
10.1021/acs.jpcc.5b06219
10.1016/j.cattod.2018.11.041
10.1002/slct.201801358
10.1039/C5CE00454C
10.1021/jp2047773
10.1016/j.mcat.2018.07.029
10.1021/acs.nanolett.5b00449
10.1021/acs.nanolett.7b01789
10.1016/j.jcat.2005.03.019
10.1038/s41598-017-17049-y
10.1016/j.ultramic.2004.01.008
10.1016/j.elspec.2005.01.158
10.1107/S1600577514013964
10.1111/j.1574-6941.2010.00837.x
10.1107/S0909049511049144
10.1038/srep34406
10.1007/s00453-001-0110-y
10.1109/TIT.1982.1056489
10.1107/S160057751303083X
10.1016/j.actbio.2019.05.071
10.1021/cm400106k
10.1002/cctc.201801378
10.1098/rsta.2017.0057
10.1039/C4CP04488F
10.1016/S0021-9517(02)00036-2
10.1016/0098-1354(93)E0023-3
10.1002/aic.16489
10.1103/PhysRevMaterials.2.083802
10.1021/ie034067h
10.1063/1.4901599

Dates

Type	When
Created	5 years, 10 months ago (Sept. 27, 2019, 11:50 p.m.)
Deposited	2 years, 4 months ago (April 13, 2023, 1:13 p.m.)
Indexed	2 days ago (Aug. 19, 2025, 6:15 a.m.)
Issued	5 years, 10 months ago (Sept. 27, 2019)
Published	5 years, 10 months ago (Sept. 27, 2019)
Published Online	5 years, 10 months ago (Sept. 27, 2019)
Published Print	5 years, 9 months ago (Nov. 1, 2019)

Funders 1

U. S. Department of Energy 10.13039/100000015 U.S. Department of Energy
Region: Americas
gov (National government)
Labels8
1. Energy Department
2. Department of Energy
3. United States Department of Energy
4. ENERGY.GOV
5. US Department of Energy
6. USDOE
7. DOE
8. USADOE
Awards2
1. DE-SC0012573
2. DE-FG02-03ER15476

BibTeX

@article{Timoshenko_2019, title={“Inverting” X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors}, volume={9}, ISSN={2155-5435}, url={http://dx.doi.org/10.1021/acscatal.9b03599}, DOI={10.1021/acscatal.9b03599}, number={11}, journal={ACS Catalysis}, publisher={American Chemical Society (ACS)}, author={Timoshenko, Janis and Frenkel, Anatoly I.}, year={2019}, month=sep, pages={10192–10211} }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        19
      ]
    ],
    "date-time": "2025-08-19T10:15:43Z",
    "timestamp": 1755598543464,
    "version": "3.37.3"
  },
  "reference-count": 200,
  "publisher": "American Chemical Society (ACS)",
  "issue": "11",
  "license": [
    {
      "start": {
        "date-parts": [
          [
            2019,
            9,
            27
          ]
        ],
        "date-time": "2019-09-27T00:00:00Z",
        "timestamp": 1569542400000
      },
      "content-version": "stm-asf",
      "delay-in-days": 0,
      "URL": "https://doi.org/10.15223/policy-029"
    },
    {
      "start": {
        "date-parts": [
          [
            2019,
            9,
            27
          ]
        ],
        "date-time": "2019-09-27T00:00:00Z",
        "timestamp": 1569542400000
      },
      "content-version": "stm-asf",
      "delay-in-days": 0,
      "URL": "https://doi.org/10.15223/policy-037"
    },
    {
      "start": {
        "date-parts": [
          [
            2019,
            9,
            27
          ]
        ],
        "date-time": "2019-09-27T00:00:00Z",
        "timestamp": 1569542400000
      },
      "content-version": "stm-asf",
      "delay-in-days": 0,
      "URL": "https://doi.org/10.15223/policy-045"
    }
  ],
  "funder": [
    {
      "DOI": "10.13039/100000015",
      "name": "U. S. Department of Energy",
      "doi-asserted-by": "crossref",
      "award": [
        "DE-SC0012573",
        "DE-FG02-03ER15476"
      ],
      "id": [
        {
          "id": "10.13039/100000015",
          "id-type": "DOI",
          "asserted-by": "crossref"
        }
      ]
    }
  ],
  "content-domain": {
    "domain": [],
    "crossmark-restriction": false
  },
  "published-print": {
    "date-parts": [
      [
        2019,
        11,
        1
      ]
    ]
  },
  "DOI": "10.1021/acscatal.9b03599",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2019,
        9,
        28
      ]
    ],
    "date-time": "2019-09-28T03:50:42Z",
    "timestamp": 1569642642000
  },
  "page": "10192-10211",
  "source": "Crossref",
  "is-referenced-by-count": 141,
  "title": "\u201cInverting\u201d X-ray Absorption Spectra of Catalysts by Machine Learning in Search for Activity Descriptors",
  "prefix": "10.1021",
  "volume": "9",
  "author": [
    {
      "given": "Janis",
      "family": "Timoshenko",
      "sequence": "first",
      "affiliation": [
        {
          "name": "Department of Interface Science, Fritz-Haber-Institute of the Max Planck Society, 14195 Berlin, Germany"
        }
      ]
    },
    {
      "ORCID": "https://orcid.org/0000-0002-5451-1207",
      "authenticated-orcid": true,
      "given": "Anatoly I.",
      "family": "Frenkel",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, New York 11794, United States"
        },
        {
          "name": "Chemistry Division, Brookhaven National Laboratory, Upton, New York 11973, United States"
        }
      ]
    }
  ],
  "member": "316",
  "published-online": {
    "date-parts": [
      [
        2019,
        9,
        27
      ]
    ]
  },
  "reference": [
    {
      "key": "ref1/cit1",
      "doi-asserted-by": "publisher",
      "DOI": "10.1126/science.1164170"
    },
    {
      "key": "ref2/cit2",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/s11244-018-1057-4"
    },
    {
      "key": "ref3/cit3",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/cctc.201600996"
    },
    {
      "key": "ref4/cit4",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/smll.201703609"
    },
    {
      "key": "ref5/cit5",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpclett.9b00475"
    },
    {
      "key": "ref6/cit6",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja5051555"
    },
    {
      "key": "ref7/cit7",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja106679z"
    },
    {
      "key": "ref8/cit8",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C5CY00932D"
    },
    {
      "key": "ref9/cit9",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.8b12442"
    },
    {
      "key": "ref10/cit10",
      "doi-asserted-by": "publisher",
      "DOI": "10.1126/science.aad4998"
    },
    {
      "key": "ref11/cit11",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja1064262"
    },
    {
      "key": "ref12/cit12",
      "doi-asserted-by": "publisher",
      "DOI": "10.1126/science.1240148"
    },
    {
      "key": "ref13/cit13",
      "first-page": "1",
      "volume-title": "Studies in Surface Science and Catalysis",
      "volume": "130",
      "author": "Tops\u00f8e H.",
      "year": "2000"
    },
    {
      "key": "ref14/cit14",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/B204494C"
    },
    {
      "key": "ref15/cit15",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/b309654h"
    },
    {
      "key": "ref16/cit16",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cattod.2005.11.076"
    },
    {
      "key": "ref17/cit17",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/adma.201101803"
    },
    {
      "key": "ref18/cit18",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41929-018-0056-y"
    },
    {
      "key": "ref19/cit19",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acscatal.8b01708"
    },
    {
      "key": "ref20/cit20",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41586-018-0337-2"
    },
    {
      "key": "ref21/cit21",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpclett.7b02364"
    },
    {
      "key": "ref22/cit22",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0304-3991(95)00024-U"
    },
    {
      "key": "ref23/cit23",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1365-2818.1991.tb03127.x"
    },
    {
      "key": "ref24/cit24",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp060371n"
    },
    {
      "key": "ref25/cit25",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C5SC01424G"
    },
    {
      "key": "ref26/cit26",
      "doi-asserted-by": "publisher",
      "DOI": "10.1126/science.1135080"
    },
    {
      "key": "ref27/cit27",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.1432688"
    },
    {
      "key": "ref28/cit28",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/cr2000898"
    },
    {
      "key": "ref29/cit29",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cattod.2016.02.065"
    },
    {
      "key": "ref30/cit30",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/c2cp41339f"
    },
    {
      "key": "ref31/cit31",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acsnano.5b00090"
    },
    {
      "key": "ref32/cit32",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cattod.2016.05.049"
    },
    {
      "key": "ref33/cit33",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.81.115451"
    },
    {
      "key": "ref34/cit34",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/A:1019196908404"
    },
    {
      "key": "ref35/cit35",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.76.104110"
    },
    {
      "key": "ref36/cit36",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/A:1013849814153"
    },
    {
      "key": "ref37/cit37",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp0223051"
    },
    {
      "key": "ref38/cit38",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp963949+"
    },
    {
      "key": "ref39/cit39",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/1742-6596/93/1/012045"
    },
    {
      "key": "ref40/cit40",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/c2jm16175c"
    },
    {
      "key": "ref41/cit41",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2644604"
    },
    {
      "key": "ref42/cit42",
      "doi-asserted-by": "publisher",
      "DOI": "10.1080/08940880802667874"
    },
    {
      "key": "ref43/cit43",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.46.687"
    },
    {
      "volume-title": "X-Ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES",
      "year": "1988",
      "author": "Stern E.",
      "key": "ref44/cit44"
    },
    {
      "key": "ref45/cit45",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S0909049505012719"
    },
    {
      "key": "ref46/cit46",
      "doi-asserted-by": "publisher",
      "DOI": "10.1146/annurev-anchem-061318-114929"
    },
    {
      "key": "ref47/cit47",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.48.585"
    },
    {
      "key": "ref48/cit48",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/14/12/321"
    },
    {
      "key": "ref49/cit49",
      "doi-asserted-by": "publisher",
      "DOI": "10.1006/jcat.1993.1147"
    },
    {
      "key": "ref50/cit50",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0920-5861(94)80033-2"
    },
    {
      "key": "ref51/cit51",
      "doi-asserted-by": "publisher",
      "DOI": "10.7567/JJAPS.32S2.95"
    },
    {
      "key": "ref52/cit52",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.64.3155"
    },
    {
      "key": "ref53/cit53",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/c3sc50614b"
    },
    {
      "key": "ref54/cit54",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.9b05037"
    },
    {
      "key": "ref55/cit55",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nmat2132"
    },
    {
      "key": "ref56/cit56",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0039-6028(68)90119-2"
    },
    {
      "key": "ref57/cit57",
      "doi-asserted-by": "publisher",
      "DOI": "10.1524/zkri.2007.222.11.605"
    },
    {
      "key": "ref58/cit58",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2644651"
    },
    {
      "key": "ref59/cit59",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S2052252514021101"
    },
    {
      "key": "ref60/cit60",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.120.225502"
    },
    {
      "key": "ref61/cit61",
      "doi-asserted-by": "crossref",
      "first-page": "213",
      "DOI": "10.1007/978-3-642-55315-8_7",
      "volume-title": "Synchrotron Radiation Basics, Methods and Applications",
      "author": "Benfatto M.",
      "year": "2015"
    },
    {
      "key": "ref62/cit62",
      "doi-asserted-by": "publisher",
      "DOI": "10.1051/jp4/1997163"
    },
    {
      "key": "ref63/cit63",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.1473193"
    },
    {
      "key": "ref64/cit64",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp040366o"
    },
    {
      "key": "ref65/cit65",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S1600577514013526"
    },
    {
      "key": "ref66/cit66",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/44565"
    },
    {
      "key": "ref67/cit67",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0893-6080(00)00026-5"
    },
    {
      "key": "ref68/cit68",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C6CP04030F"
    },
    {
      "key": "ref69/cit69",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.aca.2012.12.028"
    },
    {
      "key": "ref70/cit70",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.aca.2014.06.050"
    },
    {
      "key": "ref71/cit71",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cattod.2013.10.077"
    },
    {
      "key": "ref72/cit72",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S0909049599000795"
    },
    {
      "key": "ref73/cit73",
      "doi-asserted-by": "publisher",
      "DOI": "10.1246/bcsj.58.2113"
    },
    {
      "key": "ref74/cit74",
      "doi-asserted-by": "publisher",
      "DOI": "10.1017/S1431927616000179"
    },
    {
      "key": "ref75/cit75",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/sdata.2018.151"
    },
    {
      "key": "ref76/cit76",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.58.7565"
    },
    {
      "key": "ref77/cit77",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.52.15122"
    },
    {
      "key": "ref78/cit78",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ccr.2004.02.014"
    },
    {
      "key": "ref79/cit79",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/b926434e"
    },
    {
      "key": "ref80/cit80",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.83.115106"
    },
    {
      "key": "ref81/cit81",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.82.205104"
    },
    {
      "key": "ref82/cit82",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.71.165110"
    },
    {
      "key": "ref83/cit83",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/21/10/104201"
    },
    {
      "key": "ref84/cit84",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.micron.2010.06.005"
    },
    {
      "key": "ref85/cit85",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.118.096402"
    },
    {
      "key": "ref86/cit86",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.80.794"
    },
    {
      "key": "ref87/cit87",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41524-019-0176-1"
    },
    {
      "key": "ref88/cit88",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cattod.2018.10.071"
    },
    {
      "key": "ref89/cit89",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/21/34/345501"
    },
    {
      "key": "ref90/cit90",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41524-018-0067-x"
    },
    {
      "key": "ref91/cit91",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.commatsci.2014.10.037"
    },
    {
      "key": "ref92/cit92",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.commatsci.2012.10.028"
    },
    {
      "key": "ref93/cit93",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.4812323"
    },
    {
      "key": "ref94/cit94",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41524-017-0006-2"
    },
    {
      "key": "ref95/cit95",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C9ME00043G"
    },
    {
      "key": "ref96/cit96",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevMaterials.3.033604"
    },
    {
      "key": "ref97/cit97",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/nature14539"
    },
    {
      "key": "ref98/cit98",
      "unstructured": "Kingma, D. P.; Ba, J., Adam: A Method for Stochastic Optimization. 2014 arXiv:1412.6980. arXiv.org e-Print archive. https://arxiv.org/abs/1412.6980."
    },
    {
      "volume-title": "Experimental analysis solutions for leading experimental technques",
      "year": "2019",
      "author": "Lin Y.",
      "key": "ref99/cit99"
    },
    {
      "key": "ref100/cit100",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41598-018-30994-6"
    },
    {
      "key": "ref101/cit101",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41524-017-0057-4"
    },
    {
      "key": "ref102/cit102",
      "doi-asserted-by": "publisher",
      "DOI": "10.1109/TSMCC.2012.2220963"
    },
    {
      "key": "ref103/cit103",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/BF01192574"
    },
    {
      "key": "ref104/cit104",
      "doi-asserted-by": "publisher",
      "DOI": "10.1023/A:1023060720156"
    },
    {
      "key": "ref105/cit105",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/s10858-007-9166-6"
    },
    {
      "key": "ref106/cit106",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jctc.5b01006"
    },
    {
      "key": "ref107/cit107",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acsnano.7b07504"
    },
    {
      "key": "ref108/cit108",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.radphyschem.2018.11.003"
    },
    {
      "key": "ref109/cit109",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.8b07952"
    },
    {
      "key": "ref110/cit110",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/2515-7639/ab0b68"
    },
    {
      "key": "ref111/cit111",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.radphyschem.2019.108430"
    },
    {
      "key": "ref112/cit112",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.82.155450"
    },
    {
      "key": "ref113/cit113",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.84.245438"
    },
    {
      "key": "ref114/cit114",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja809182v"
    },
    {
      "key": "ref115/cit115",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.9b00945"
    },
    {
      "key": "ref116/cit116",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.langmuir.7b03984"
    },
    {
      "key": "ref117/cit117",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.5020301"
    },
    {
      "key": "ref118/cit118",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.7b01835"
    },
    {
      "key": "ref119/cit119",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acscatal.5b01816"
    },
    {
      "key": "ref120/cit120",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja500328k"
    },
    {
      "key": "ref121/cit121",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevLett.56.2076"
    },
    {
      "key": "ref122/cit122",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.2126666"
    },
    {
      "key": "ref123/cit123",
      "doi-asserted-by": "publisher",
      "DOI": "10.1524/zkri.220.5.567.65075"
    },
    {
      "key": "ref124/cit124",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.4978500"
    },
    {
      "key": "ref125/cit125",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S1600577516001181"
    },
    {
      "key": "ref126/cit126",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/26/5/055401"
    },
    {
      "key": "ref127/cit127",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.actamat.2014.07.029"
    },
    {
      "key": "ref128/cit128",
      "doi-asserted-by": "publisher",
      "DOI": "10.2478/s11534-010-0074-0"
    },
    {
      "key": "ref129/cit129",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/1742-6596/190/1/012080"
    },
    {
      "key": "ref130/cit130",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.radphyschem.2018.12.032"
    },
    {
      "key": "ref131/cit131",
      "doi-asserted-by": "publisher",
      "DOI": "10.1515/zpch-2015-0664"
    },
    {
      "key": "ref132/cit132",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C8NR04866E"
    },
    {
      "key": "ref133/cit133",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.86.174114"
    },
    {
      "key": "ref134/cit134",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ssc.2010.09.027"
    },
    {
      "key": "ref135/cit135",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C5NR04678E"
    },
    {
      "key": "ref136/cit136",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/0953-8984/21/5/055401"
    },
    {
      "key": "ref137/cit137",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.nanolett.8b04461"
    },
    {
      "key": "ref138/cit138",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cpc.2008.12.020"
    },
    {
      "key": "ref139/cit139",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.71.094110"
    },
    {
      "key": "ref140/cit140",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/cr050972v"
    },
    {
      "key": "ref141/cit141",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja064207p"
    },
    {
      "key": "ref142/cit142",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpclett.7b01446"
    },
    {
      "key": "ref143/cit143",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.78.121404"
    },
    {
      "key": "ref144/cit144",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/c2cs35174a"
    },
    {
      "key": "ref145/cit145",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevB.75.085428"
    },
    {
      "key": "ref146/cit146",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cplett.2008.11.077"
    },
    {
      "key": "ref147/cit147",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/9781119148739.ch4"
    },
    {
      "key": "ref148/cit148",
      "doi-asserted-by": "publisher",
      "DOI": "10.1080/08927022.2018.1450982"
    },
    {
      "key": "ref149/cit149",
      "doi-asserted-by": "publisher",
      "DOI": "10.1017/S1431927618014629"
    },
    {
      "key": "ref150/cit150",
      "doi-asserted-by": "publisher",
      "DOI": "10.1088/1742-6596/712/1/012070"
    },
    {
      "key": "ref151/cit151",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/es990787x"
    },
    {
      "key": "ref152/cit152",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/s11244-018-1036-9"
    },
    {
      "key": "ref153/cit153",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.3040271"
    },
    {
      "key": "ref154/cit154",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp1064825"
    },
    {
      "key": "ref155/cit155",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/j100033a032"
    },
    {
      "key": "ref156/cit156",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/s00216-003-1987-x"
    },
    {
      "key": "ref157/cit157",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.apcata.2009.11.015"
    },
    {
      "key": "ref158/cit158",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C4CY00197D"
    },
    {
      "key": "ref159/cit159",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/cctc.201200356"
    },
    {
      "key": "ref160/cit160",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/anie.201709552"
    },
    {
      "key": "ref161/cit161",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C1CY00277E"
    },
    {
      "key": "ref162/cit162",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jacs.8b08071"
    },
    {
      "key": "ref163/cit163",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S0909049599000965"
    },
    {
      "key": "ref164/cit164",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ja0301673"
    },
    {
      "key": "ref165/cit165",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0169-7439(95)00047-X"
    },
    {
      "key": "ref166/cit166",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.chemolab.2014.10.003"
    },
    {
      "key": "ref167/cit167",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C7SC02266B"
    },
    {
      "key": "ref168/cit168",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/cs501799p"
    },
    {
      "key": "ref169/cit169",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jacs.6b11872"
    },
    {
      "key": "ref170/cit170",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jacs.7b07437"
    },
    {
      "key": "ref171/cit171",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.jpcc.5b06219"
    },
    {
      "key": "ref172/cit172",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.cattod.2018.11.041"
    },
    {
      "key": "ref173/cit173",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/slct.201801358"
    },
    {
      "key": "ref174/cit174",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C5CE00454C"
    },
    {
      "key": "ref175/cit175",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/jp2047773"
    },
    {
      "key": "ref176/cit176",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.mcat.2018.07.029"
    },
    {
      "key": "ref177/cit177",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.nanolett.5b00449"
    },
    {
      "key": "ref178/cit178",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/acs.nanolett.7b01789"
    },
    {
      "key": "ref179/cit179",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.jcat.2005.03.019"
    },
    {
      "key": "ref180/cit180",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/s41598-017-17049-y"
    },
    {
      "key": "ref181/cit181",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.ultramic.2004.01.008"
    },
    {
      "key": "ref182/cit182",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.elspec.2005.01.158"
    },
    {
      "key": "ref183/cit183",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S1600577514013964"
    },
    {
      "key": "ref184/cit184",
      "doi-asserted-by": "publisher",
      "DOI": "10.1111/j.1574-6941.2010.00837.x"
    },
    {
      "key": "ref185/cit185",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S0909049511049144"
    },
    {
      "key": "ref186/cit186",
      "doi-asserted-by": "publisher",
      "DOI": "10.1038/srep34406"
    },
    {
      "key": "ref187/cit187",
      "doi-asserted-by": "publisher",
      "DOI": "10.1007/s00453-001-0110-y"
    },
    {
      "key": "ref188/cit188",
      "doi-asserted-by": "publisher",
      "DOI": "10.1109/TIT.1982.1056489"
    },
    {
      "key": "ref189/cit189",
      "doi-asserted-by": "publisher",
      "DOI": "10.1107/S160057751303083X"
    },
    {
      "key": "ref190/cit190",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/j.actbio.2019.05.071"
    },
    {
      "key": "ref191/cit191",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/cm400106k"
    },
    {
      "key": "ref192/cit192",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/cctc.201801378"
    },
    {
      "key": "ref193/cit193",
      "doi-asserted-by": "publisher",
      "DOI": "10.1098/rsta.2017.0057"
    },
    {
      "key": "ref194/cit194",
      "doi-asserted-by": "publisher",
      "DOI": "10.1039/C4CP04488F"
    },
    {
      "key": "ref195/cit195",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/S0021-9517(02)00036-2"
    },
    {
      "key": "ref196/cit196",
      "doi-asserted-by": "publisher",
      "DOI": "10.1016/0098-1354(93)E0023-3"
    },
    {
      "key": "ref197/cit197",
      "doi-asserted-by": "publisher",
      "DOI": "10.1002/aic.16489"
    },
    {
      "key": "ref198/cit198",
      "doi-asserted-by": "publisher",
      "DOI": "10.1103/PhysRevMaterials.2.083802"
    },
    {
      "key": "ref199/cit199",
      "doi-asserted-by": "publisher",
      "DOI": "10.1021/ie034067h"
    },
    {
      "key": "ref200/cit200",
      "doi-asserted-by": "publisher",
      "DOI": "10.1063/1.4901599"
    }
  ],
  "container-title": "ACS Catalysis",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.acs.org/doi/pdf/10.1021/acscatal.9b03599",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        4,
        13
      ]
    ],
    "date-time": "2023-04-13T17:13:42Z",
    "timestamp": 1681406022000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.acs.org/doi/10.1021/acscatal.9b03599"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2019,
        9,
        27
      ]
    ]
  },
  "references-count": 200,
  "journal-issue": {
    "issue": "11",
    "published-print": {
      "date-parts": [
        [
          2019,
          11,
          1
        ]
      ]
    }
  },
  "alternative-id": [
    "10.1021/acscatal.9b03599"
  ],
  "URL": "http://dx.doi.org/10.1021/acscatal.9b03599",
  "relation": {},
  "ISSN": [
    "2155-5435",
    "2155-5435"
  ],
  "subject": [],
  "container-title-short": "ACS Catal.",
  "published": {
    "date-parts": [
      [
        2019,
        9,
        27
      ]
    ]
  }
}