journal article·2023-04

Theoretical study the catalytic performance and mechanism of novel designed single atom catalysts M1/2DMs for 1,3-butadiene hydrogenation

Zhe Yan, Linxia Cui, Zhe Pang, Ke Shi, Mingyuan Zhang, Jiuwen Guo, Rui Gao, Haigang Hao

Publisher page

Abstract

No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.

Source: Not provided · Quality: missing

Research context

OpenAlex topics: Electrocatalysts for Energy Conversion · Catalytic Processes in Materials Science · Ammonia Synthesis and Nitrogen Reduction

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (67)

Show source-provided references
1. Selective hydrogenation of 1,3-butadiene in the presence of an excess of alkenes over supported bimetallic gold-palladium catalysts10.1021/jp100479b ↗
2. Plant-mediated synthesis of AgPd/γ-Al2O3 catalysts for selective hydrogenation of 1,3-butadiene at low temperature10.1039/C9NJ01733J ↗
3. A comparative study of 1,3-butadiene and 1-butene chemisorbed on Pt(111), and Pd(111)10.1016/0039-6028(95)01025-4 ↗
4. Hydrogenation of 1,3-butadiene over Au and Pt/SiO2-N cataysts at low temperature10.1016/j.catcom.2015.04.007 ↗
5. Liquid-phase hydrogenation of cinnamaldehyde: enhancing selectivity of supported gold catalysts by incorporation of cerium into the support10.1021/ie300847j ↗
6. Selective hydrogenation of 1,3-butadiene: improvement of selectivity by using additives10.1016/j.cej.2003.09.005 ↗
7. Novel non-noble bimetallic Cu-Zn/TiO2 catalysts for selective hydrogenation of butadiene10.1016/j.jcat.2017.01.010 ↗
8. Tuning butene selectivities by Cu modification on Pd-based catalyst for the selective hydrogenation of 1,3-butadiene10.1016/j.jcat.2019.04.018 ↗
9. Biosynthesized Pd/γ-Al2O3 catalysts for low-temperature 1,3-butadiene hydrogenation: effect of calcination atmosphere10.1039/C7NJ02557B ↗
10. Atmospheric pressure studies of selective 1,3-butadiene hydrogenation on well-defined Pd/A2O3/NiAl(110) model catalysts: effect of Pd particle size10.1016/j.jcat.2006.02.024 ↗
11. Effect of particle size and support type on Pd catalysts for 1,3-Butadiene hydrogenation10.1007/s11244-018-0887-4 ↗
12. Pd cluster nanowires as highly efficient catalysts for selective hydrogenation reactions10.1002/chem.201102903 ↗
13. Participation of support sites in hydrogenation of 1,3-butadiene over Pt/Al2O3 catalysts10.1016/0926-860X(95)00062-3 ↗
14. The role of hydrogen coverage and location in 1,3-butadiene hydrogenation over Pt/SiO2, React
15. Theoretical investigation of selective hydrogenation of 1,3-butadiene on Pt doping Cu nanoparticles10.1016/j.apsusc.2018.06.123 ↗
16. Selective 1,3-butadiene hydrogenation by gold nanoparticles on novel nano-carbon materials10.1016/j.cattod.2014.11.023 ↗
17. Catalysis by gold: Isolated surface Au3+ ions are active sites for selective hydrogenation of 1,3-butadiene over Au/ZrO2 catalysis10.1002/anie.200502101 ↗
18. Tuning catalytic selectivity: Zeolite- and magnesium oxide supported molecular Rhodium catalysts for hydrogenation of 1,3-butadiene10.1021/cs300475c ↗
19. Selective hydrogenation of 1,3-butadiene on Pd-Ni bimetallic catalyst: From model surfaces to supported catalysts10.1016/j.jcat.2014.04.015 ↗
20. Effect of oxide supports on Pd-Ni bimetallic catalysts for 1,3-butadiene hydrogenation10.1016/j.apcata.2014.11.001 ↗
21. Novel AuPd nanostructures for hydrogenation of 1,3-butadiene10.1039/C4TA06226D ↗
22. Selective hydrogenation of 1,3-butadiene over Pd and Pd-Sn catalysts supported on different phases of alumina10.1016/j.cattod.2010.10.013 ↗
23. Selective hydrogenation of 1,3-butadiene on platinum-copper alloys at the single-atom limit10.1038/ncomms9550 ↗
24. Remarkable performance of Ir1/FeOx single-atom catalyst in water gas shift reaction10.1021/ja408574m ↗
25. Single-atom catalysis of CO oxidation using Pt1/FeOx10.1038/nchem.1095 ↗
26. A stable single-site palladium catalyst for hydrogenations10.1002/anie.201505073 ↗
27. Selective hydrogenation of 1,3-butadiene over single Pt1/Cu(111) model catalysts: A DFT study10.1016/j.apsusc.2018.10.084 ↗
28. Single-atom Pd1/graphene catalyst achieved by atomic layer deposition: remarkable performance in selective hydrogenation of 1,3-butadiene10.1021/jacs.5b06485 ↗
29. Understanding the underlying mechanism of improved selectivity in pd1 single-atom catalyzed hydrogenation reaction10.1016/j.jcat.2018.07.033 ↗
30. Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics10.1039/C8SC00776D ↗
31. Acid-assisted hydrogenation of CO2 to methanol using Ru(II) and Rh(III) RAPTA-type catalysts under mild conditions
32. Nanoparticulate Ru on morphology-manipulated and Ti3+ defect-riched TiO2 nanosheets for benzene semi-hydrogenation10.1016/j.jcat.2021.04.017 ↗
33. Electrochemical promotion of Ru nanoparticles deposited on a proton conductor electrolyte during CO2 hydrogenation10.1016/j.apcatb.2020.119148 ↗
34. Ru-Zn catalysts for selective hydrogenation of benzene using coprecipitation in low alkalinity10.1016/S1872-2067(14)60231-X ↗
35. A selective and stable Fe/TiO2 catalyst for selective hydrogenation of butadiene in alkene-rich stream
36. Enhanced performance of well-dispersed Co species incorporated on porous carbon derived from metal-organic frameworks in 1,3-butadiene hydrogenation10.1016/j.micromeso.2019.06.019 ↗
37. Catalytic properties of Al13TM4 complex intermetallics: influence of the transition metal and the surface orientation on butadiene hydrogenation10.1080/14686996.2019.1608792 ↗
38. Highly selective and stable isolated non-noble metal atom catalysts for selective hydrogenation of acetylene10.1021/acscatal.1c04758 ↗
39. Visible-light-driven semihydrogenation of alkynes via proton reduction over carbon nitride supported nickel10.1016/j.apcatb.2021.121004 ↗
40. Emerging two-dimensional nanomaterials for electrocatalysis10.1021/acs.chemrev.7b00689 ↗
41. Catalysis with two-dimensional materials and their heterostructures10.1038/nnano.2015.340 ↗
42. Adsorption of formaldehyde molecule on the pristine and transition metal doped graphene: first-principles study10.1016/j.apsusc.2016.11.080 ↗
43. Reactivity screening of single atoms on modified graphene surface: from formation and scaling relations to catalytic activity10.1002/admi.202001814 ↗
44. Doping monolayer graphene with single atom substitutions10.1021/nl2031629 ↗
45. Doping large-scale and highly selective CO2 electrocatalytic reduction on nickel single-atom catalyst10.1016/j.joule.2018.10.015 ↗
46. Single Mo atom supported on defective Boron Nitride monolayer as an efficient electrocatalyst for Nitrogen fixation: a Computational Study10.1021/jacs.7b05213 ↗
47. Single nickel atom supported on hybridized graphene-boron nitride nanosheet as a highly active bi-functional electrocatalyst for hydrogen and oxygen evolution reactions10.1039/C9TA10500J ↗
48. Defect functionalization of hexagonal boron nitride nanosheets10.1021/jp105454w ↗
49. Selective sputtering and atomic resolution imaging of atomically thin boron nitride membranes10.1021/nl9011497 ↗
50. Dynamics of single Fe atoms in graphene vacancies10.1021/nl304495v ↗
51. A theoretical study of Single-atom catalysis of CO oxidation using Au embedded 2D h-BN monolayer: a CO-promoted O2 activation10.1038/srep05441 ↗
52. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
53. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
54. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
55. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
56. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
57. Ferromagnetism in semihydrogenated graphene sheet10.1021/nl9020733 ↗
58. Fabrication of a freestanding Boron Nitride single layer and its defect assignments10.1103/PhysRevLett.102.195505 ↗
59. Single nickel atom supported on hybridized graphene-boron nitride nanosheet as a highly active bi-functional electrocatalyst for hydrogen and oxygen evolution reactions10.1039/C9TA10500J ↗
60. Electrochemical reduction of CO2 by single atom catalyst TM-TCNQ monolayers10.1039/C8TA08677J ↗
61. Tailoring the electronic structure and chemical activity of iron via confining into two-dimensional materials10.1021/acs.jpcc.8b05395 ↗
62. Tackling the activity and selectivity challenges of electrocatalysts toward the nitrogen reduction reaction via atomically dispersed biatom catalysts10.1021/jacs.9b13349 ↗
63. Theoretical study the influence of partial substitute noble metal Pd/Ag of PdAg-based catalyst by non-noble metal Ni/Cu for 1,3-Butadiene hydrogenation10.1016/j.apsusc.2022.152897 ↗
64. A catalysed reaction of hydrogen with water10.1038/132819a0 ↗
65. Catalysed reaction of hydrogen with water and the nature of over-voltage10.1038/132931a0 ↗
66. Catalytic interchange of hydrogen between water and ethylene and between water and benzene10.1038/134377b0 ↗
67. Exchange reactions of hydrogen on metallic catalysts10.1039/tf9343001164 ↗