Influence mechanism of supports for the adsorption and dissociation of H2O and toluene in toluene steam reforming

Unraveling the effects of potassium incorporation routes and positions on toluene oxidation over α-MnO2 nanorods: Based on experimental and density functional theory (DFT) studies

(2021) Xiaodong Zhang et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

The promoting effect of H2O on rod-like MnCeOx derived from MOFs for toluene oxidation: A combined experimental and theoretical investigation

(2021) Xiaodong Zhang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Insights into CO2 methanation mechanism on cubic ZrO2 supported Ni catalyst via a combination of experiments and DFT calculations

(2020) Xianglan Xu et al.   FUEL

Methane Activation at the Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study

(2019) Rajib K. Singha et al.   Journal of Physical Chemistry C

Reforming of tar from biomass gasification in a hybrid catalysis-plasma system: A review

(2019) Lina Liu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Predicting Metal–Support Interactions in Oxide-Supported Single-Atom Catalysts

(2019) Kaiyang Tan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

The adsorption of Ru n ( n  = 1–4) on γ-Al 2 O 3 Surface: A DFT study

(2018) Zhe Liu et al.   APPLIED SURFACE SCIENCE

A DFT study on the failure mechanism of Al 2 O 3 film by various point defects in solution

(2018) Chuan-Hui Zhang et al.   CHEMICAL PHYSICS

Preparation, modification and development of Ni-based catalysts for catalytic reforming of tar produced from biomass gasification

(2018) Zhikun Zhang et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Stability of different Ni supported catalysts in the in-line steam reforming of biomass fast pyrolysis volatiles

(2018) Laura Santamaria et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Steam reforming of different biomass tar model compounds over Ni/Al2O3 catalysts

(2017) Maite Artetxe et al.   ENERGY CONVERSION AND MANAGEMENT

First-Principles Thermodynamics Study of Spinel MgAl2O4 Surface Stability

(2016) Qiuxia Cai et al.   Journal of Physical Chemistry C

Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis

(2013) Xiao-Feng Yang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY