Controllable dehydrogenation process of CH4 on twin T-graphene substrate
Bibliographic record
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: Graphene research and applications · Catalysis and Oxidation Reactions · Catalysts for Methane Reforming
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (86)
Show source-provided references
1. Understanding the effect of Ni cluster size on methane activation and dehydrogenation10.1016/j.ijhydene.2022.12.174 ↗
2. Methane dehydrogenation and oxidation process over Ni-based bimetallic catalysts10.1016/j.fuel.2018.04.031 ↗
3. A DFT study for in-situ CO2 utilization realized by calcium-loopingdry reforming of methane based on Ni/CaCO310.1016/j.cej.2024.148940 ↗
4. Review of methane catalytic cracking for hydrogen production10.1016/j.ijhydene.2010.11.035 ↗
5. Effects of metal elements in catalytic growth of carbon nanotubes/graphene: a first principles DFT study10.1016/j.apsusc.2014.09.008 ↗
6. A pilot-scale solar reactor for the production of hydrogen and carbon black from methane splitting10.1016/j.ijhydene.2010.05.057 ↗
7. Relativistic DFT studies of dehydrogenation of methane by Pt cationic clusters: cooperative effect of bimetallic clusters10.1021/jp062544e ↗
8. A DFT investigation of methane molecular adsorption on Pt (100)10.1016/j.susc.2005.07.029 ↗
9. CH4 dissociation on NiCo (111) surface: a first-principles study10.1016/j.apsusc.2011.05.073 ↗
10. Theoretical insights into the methane catalytic decomposition on graphene nanoribbons edges10.3389/fchem.2023.1172687 ↗
11. Handy synthesis of robust Ni/carbon catalysts for methane decomposition by selective gasification of pine sawdust10.1016/j.ijhydene.2018.08.207 ↗
12. Catalytic activity of carbons for methane decomposition reaction10.1016/j.cattod.2005.02.018 ↗
13. Hydrogen production by catalytic methane decomposition: carbon materials as catalysts or catalyst supports10.1016/j.ijhydene.2017.06.197 ↗
14. Reproducible graphene synthesis by oxygen-free chemical vapour deposition10.1038/s41586-024-07454-5 ↗
15. Activated carbon–carbon nanotube composite porous film for supercapacitor applications10.1016/j.materresbull.2005.09.029 ↗
16. Preparation and electrothermal performance of onion-like carbon/carbon nanofibre composite film10.1016/j.cplett.2023.140429 ↗
17. Hierarchical structured Cu@carbon/carbon cloth film with high levels of light absorption for efficient solar thermal desalination10.1039/D3EN00252G ↗
18. Magnetic carbon fiber/reduced graphene oxide film for electromagnetic microwave absorption10.1016/j.ceramint.2023.08.356 ↗
19. Methane activation on Pt and Pt4: a density functional theory study10.1021/jp065288e ↗
20. Adsorption and dehydrogenation mechanism of methane on clean and oxygen-covered Pd (1 0 0) surfaces: a DFT study10.1016/j.apsusc.2014.08.195 ↗
21. Methane dehydrogenation on 3d 13-atom transition-metal clusters: a density functional theory investigation combined with spearman rank correlation analysis10.1016/j.fuel.2020.117790 ↗
22. Role of quantum-size effects in the dehydrogenation of CH4 on 3d TMn clusters: DFT calculations combined with data mining, Catal
23. Implications of DFT calculations on microkinetic predictions: the catalytic decomposition of CH4 on M13 (M = Fe, Ni, Ru, Pd and Pt) cluster10.1016/j.comptc.2025.115265 ↗
24. Study on carbon deposition associated with catalytic CH4 reforming by using density functional theory10.1016/j.fuel.2013.06.022 ↗
25. Development of stable bimetallic catalysts for carbon dioxide reforming of methane10.1016/j.jcat.2007.05.004 ↗
26. Methane-induced Activation Mechanism of Fused Ferric Oxide–Alumina Catalysts during Methane Decomposition10.1002/cssc.201600500 ↗
27. Kinetics of methane decomposition to COx-free hydrogen and carbon nanofiber over Ni–Cu/MgO catalyst10.1016/j.ijhydene.2010.05.072 ↗
28. Influence of group VIB metals on activity of the Ni/MgO catalysts for methane decomposition10.1016/j.apcatb.2019.01.067 ↗
29. Hydrogen production by catalytic cracking of methane using Ni-Al2O3 catalysts. Influence of the operating conditions10.1016/S0167-2991(01)80222-6 ↗
30. Production of hydrogen by methane catalytic decomposition over Ni–Cu–Fe/Al2O3 catalyst10.1016/j.ijhydene.2009.01.074 ↗
31. Ni/SiO2 and Fe/SiO2 catalysts for production of hydrogen and filamentous carbon via methane decomposition10.1016/S0920-5861(02)00248-1 ↗
32. Carbon deposition and methane steam reforming on silica-supported Ni-Cu catalysts10.1016/0021-9517(85)90320-3 ↗
33. Titania-supported cobalt and nickel bimetallic catalysts for carbon dioxide reforming of methane10.1016/j.jcat.2005.03.011 ↗
34. Potassium hydride-intercalated graphite as an efficient heterogeneous catalyst for ammonia synthesis10.1038/s41929-022-00754-x ↗
35. Evaluation of activated carbons based on olive stones as catalysts during hydrogen production by thermocatalytic decomposition of methane10.1016/j.ijhydene.2016.11.177 ↗
36. Study on the regulation of performance and Hg0 removal mechanism of MIL-101(Fe)-derived carbon materials10.1016/j.seppur.2025.134939 ↗
37. Efficient removal of gaseous elemental mercury by Fe-UiO-66@BC composite adsorbent: performance evaluation and mechanistic elucidation
38. Graphene-based materials for catalysis, Catal
39. Carbocatalysis by graphene-based materials10.1021/cr4007347 ↗
40. Multiple roles of graphene in heterogeneous catalysis10.1039/C5CS00094G ↗
41. Catalysis with two-dimensional materials and their heterostructures10.1038/nnano.2015.340 ↗
42. Toward a mechanistic understanding of electrocatalytic nanocarbon10.1038/s41467-021-23486-1 ↗
43. Graphene oxide: a convenient carbocatalyst for facilitating oxidation and hydration reactions10.1002/anie.201002160 ↗
44. Graphenes in the absence of metals as carbocatalysts for selective acetylene hydrogenation and alkene hydrogenation10.1038/ncomms6291 ↗
45. Defect graphene as a trifunctional catalyst for electrochemical reactions10.1002/adma.201602912 ↗
46. Theoretical study of oxygen reduction reaction mechanism in metal-free carbon materials: defects, structural flexibility, and chemical reaction10.1021/acsnano.2c05607 ↗
47. Nitrogen-doped graphene quantum dots with oxygen-rich functional groups10.1021/ja206030c ↗
48. Active sites of nitrogen-doped carbon materials for oxygen reduction reaction clarified using model catalysts10.1126/science.aad0832 ↗
49. Unexpected catalytic activity of nanorippled graphene10.1073/pnas.2300481120 ↗
50. Density-functional-theory calculation analysis of active sites for four-electron reduction of O2 on Fe/N-doped graphene10.1021/cs501170a ↗
51. Tuning the catalytic property of non-noble metallic impurities in graphene10.1016/j.carbon.2014.01.022 ↗
52. Direct methane conversion to methanol on M and MN4 embedded graphene (M = Ni and Si): a comparative DFT study10.1016/j.apsusc.2019.143618 ↗
53. Twin T-graphene: a new semiconducting 2D carbon allotrope10.1039/D0CP00263A ↗
54. Nitrogen-doped or boron-doped twin T-graphene as advanced and reversible hydrogen storage media10.1016/j.apsusc.2023.156895 ↗
55. A density functional theory study of twin T-graphene as an anode material for Na-ion-based batteries10.1063/5.0123013 ↗
56. Tuning sensitivity of twin T-graphene towards harmful gasvia synergistic effects of doping and strain10.1016/j.apsusc.2024.161857 ↗
57. Electronic properties of transition metal embedded twin T-graphene: a density functional theory study10.1016/j.physe.2021.114806 ↗
58. Coordination Symmetry Breaking of Single-Atom Catalysts for Robust and Efficient Nitrate Electroreduction to Ammonia10.1002/adma.202205767 ↗
59. Methane oxidation into methanol catalyzed by TM-anchored C24N24 nanoclusters (TM= Fe, Co and Ni): a DFT study10.1016/j.inoche.2020.108317 ↗
60. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
61. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
62. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
63. Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections10.1021/jp106469x ↗
64. A climbing image nudged elastic band method for finding saddle points and minimum energy paths
65. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
66. A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
67. Influence of the tensile strain on CH4 dissociation on Cu (1 0 0) surface: a theoretical study10.1016/j.apsusc.2015.11.073 ↗
68. Effect of doped metals Rh, Pd, and Cu over the IrO2 (110) surface: improving C2 selectivity during oxidative coupling of methane10.1021/acs.jpcc.1c04670 ↗
69. Enhancing sensitivity of C3N monolayer to CH4 molecule through doping 3d transition metal: a first-principles study
70. Modulating the band alignment, carrier mobility and optical absorption of graphene/MoS2 heterostructure via synergistic effects of doping and strain
71. High carrier mobility and controllable electronic property of the h-BN/SnSe2 heterostructure10.1021/acs.langmuir.3c00625 ↗
72. Low-temperature activation of methane on the IrO2 (110) surface10.1126/science.aam9147 ↗
73. Room-temperature methane conversion by graphene-confined single Iron atoms10.1016/j.chempr.2018.05.006 ↗
74. Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O210.1038/s41929-021-00725-8 ↗
75. Precisely metal doped nanographenes via a carbaporphyrin approach10.1038/s41467-025-56828-4 ↗
76. Cation-doped ZnS catalysts for polysulfide conversion in lithium–sulfur batteries10.1038/s41929-022-00804-4 ↗
77. The dehydrogenation of CH4 on Rh (1 1 1), Rh (110) and Rh (1 0 0) surfaces: a density functional theory study10.1016/j.apsusc.2011.12.012 ↗
78. Adsorption and dissociation of CH4 on graphene: a density functional theory study10.1016/j.apsusc.2018.08.084 ↗
79. Chemistry and kinetics of chemical vapor deposition of pyrocarbon—IV pyrocarbon deposition from methane in the low temperature regime10.1016/S0008-6223(97)00177-2 ↗
80. CH4 dissociation and CeC coupling on Mo-terminated MoC surfaces: a DFT study10.1016/j.cattod.2019.03.020 ↗
81. Dissociation mechanisms of CH4 on pristine, N-doped and vacancy graphene by DFT study10.1016/j.diamond.2021.108323 ↗
82. .First principles phonon calculations in materials science10.1016/j.scriptamat.2015.07.021 ↗
83. CH4 decomposition over carbon for CO2-free hydrogen production: a combined DFT and experimental investigation on the role of carbon10.1021/acscatal.5c04541 ↗
84. Density Functional Theory Studies of the Direct Conversion of Methane to Methanol Using O2 on Graphitic MN4G-BN (M = Fe, Co, Cu) and CuN4G-PN Single-Atom Catalysts10.1021/acsanm.3c00156 ↗
85. Photocatalytic dry reforming of methane enhanced by“dual-path” strategy with excellent low-temperature catalytic performance
86. Propane dehydrogenation on Pt single-atom and Pt4 and Pt3Sn single-cluster supported on g-C3N4: a theoretical study10.1021/acs.jpcc.4c07686 ↗