Enhancing the partial oxidation of gasoline with Mo-doped Ni catalysts for SOFC applications: An integrated experimental and DFT study

Nickel–molybdenum catalysts for combined solid oxide fuel cell internal steam and dry reforming

“…The inhibition properties of Mo have previously been reported in the literature (Hirose et al, 2011;Hua et al, 2016a;Niakolas et al, 2013;Niakolas et al, 2011). Bkour et al (Bkour et al, 2020) explained the lower coke deposition for Mo doped Ni catalysts by the fact that in the Ni(111) the d-band centre of the Ni atom for the Ni 3d orbital which is in close proximity to the Mo atom, shifts away from the Fermi level thus reducing the chances for electronic interaction between C and Ni. It was reported that additional improvement of Ni-Mo supported catalysts can be obtained by the addition of noble metals such as Au (Niakolas et al, 2011).…”

“…The obtained catalysts 1 to 5 and 8 have Mo concentrations above the limit for Mo solubility (27%) in metallic Ni-Mo solid solution (Wang et al, 2005). Partial oxidation of the surface Ni atoms was reported for the Ni-Mo/YSZ structures due to the interaction between surface Ni and Mo atoms (Bkour et al, 2020). Additionally, the crystal structure of Ni and Mo is different (Mo body-centred cubic, Ni cubic close-packed) with different lattice parameters.…”

“…Ni-Mo catalysts are applied for hydrotreating reactions in petroleum refining processes and especially in the removal of sulphur (Behnejad et al, 2019;Liu et al, 2014), hydrodenitrogenation (Behnejad et al, 2019) and thioetherification (Shen et al, 2019). Using Mo as a promoter for Ni-based catalysts for reforming of CH 4 (Sehested et al, 2001;Xiong et al, 2015;Yao et al, 2017), toluene (Claude et al, 2020) or liquid hydrocarbons (Bkour et al, 2020) has also been reported. A Mo-rich catalyst can be effective in hydrodesulphurisation (Liu et al, 2015).…”

Internal Reforming Solid Oxide Fuel Cell System Operating under Direct Ethanol Feed Condition

“…Although Ni–YSZ powder wasn't prereduced in the hydrogen condition before its ESR test, the spent sample of Ni–YSZ powder illustrated the main diffraction peak of the NiO (43.4°) shift to Ni metal (44.5°) during the ethanol reforming condition, as shown in Figure S2, Supporting Information. [ 33,34 ] When the reforming temperature is increased to 800 °C, the carbon conversion and syngas production increased to an average of 70% and 30 sccm, as shown in Figure 6B. However, its performance was unstable with a high degree of coking.…”

The role of Mo species in Ni–Mo catalysts for dry reforming of methane

“…S10, ESI †), the adsorption energy of carbon species in the hollow site between the Ni atoms decreases with the doping of Mo atoms, which suggested that the adsorbed C atom has less electronic interaction with the Ni atom near Mo. 29 Additionally, Zhao and co-workers found that the C-metal binding energy can be simply characterized by the metal d-band. 62 As shown in Fig.…”