The complete reaction mechanism of H2S desulfurization on an anatase TiO2 (001) surface: a density functional theory investigation

H 2 S in-situ removal from biogas using a tubular zeolite/TiO 2 photocatalytic reactor and the improvement on methane production

(2016) Xiaoyan Hao et al.   CHEMICAL ENGINEERING JOURNAL

H2O Adsorption/Dissociation and H2 Generation by the Reaction of H2O with Al2O3 Materials: A First-Principles Investigation

(2016) Yu-Huan Lu et al.   Journal of Physical Chemistry C

Selective oxidation of H2S to sulfur over CeO2-TiO2 catalyst

(2016) Dong-Heon Kang et al.   KOREAN JOURNAL OF CHEMICAL ENGINEERING

First principles study of the adsorption and dissociation mechanisms of H2S on a TiO2 anatase (001) surface

(2016) Naeem Shahzad et al.   RSC Advances

Adsorption and dissociation of H2S on Mo2C(001) surface-A first-principle study

(2015) Dianling Fu et al.   APPLIED SURFACE SCIENCE

Selective removal of H 2 S from biogas using a regenerable hybrid TiO 2 /zeolite composite

(2015) Chunguang Liu et al.   FUEL

Theoretic Insight into the Desulfurization Mechanism: Removal of H2S by Ceria (110)

(2015) Senpeng Zhao et al.   Journal of Physical Chemistry C

A density functional study of structural, electronic and optical properties of titanium dioxide: Characterization of rutile, anatase and brookite polymorphs

(2015) Mazmira Mohamad et al.   MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

In-situ preparation of N-TiO2/graphene nanocomposite and its enhanced photocatalytic hydrogen production by H2S splitting under solar light

(2015) Ashwini P. Bhirud et al.   Nanoscale

A density functional theory study on the interaction mechanism between H2S and the α-Fe2O3(0001) surface

(2013) Jiajia Song et al.   FUEL PROCESSING TECHNOLOGY

Computational prediction of hydrogen sulfide and methane separation at room temperature by anatase titanium dioxide

(2012) Chenghua Sun   CHEMICAL PHYSICS LETTERS

DFT study on the sulfurization mechanism during the desulfurization of H2S on the ZnO desulfurizer

(2012) Lixia Ling et al.   FUEL PROCESSING TECHNOLOGY

A generalized solid-state nudged elastic band method

(2012) Daniel Sheppard et al.   JOURNAL OF CHEMICAL PHYSICS

A Comparison of TiO2 Nanoparticles and Nanotubes for Catalytic Gas Phase Destruction of H2S Gas at High Temperatures

(2012) Naeem Shahzad et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Innovative visible light-activated sulfur doped TiO2 films for water treatment

(2011) Changseok Han et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Accurate and efficient algorithm for Bader charge integration

(2011) Min Yu et al.   JOURNAL OF CHEMICAL PHYSICS

Interface Water on TiO2 Anatase (101) and (001) Surfaces: First-Principles Study with TiO2 Slabs Dipped in Bulk Water

(2010) Masato Sumita et al.   Journal of Physical Chemistry C

Density Functional Theory Study of the Adsorption and Reaction of H2S on TiO2 Rutile (110) and Anatase (101) Surfaces

(2009) Wen-Fei Huang et al.   Journal of Physical Chemistry C

Superlinearly converging dimer method for transition state search

(2008) Johannes Kästner et al.   JOURNAL OF CHEMICAL PHYSICS

Water Dissociation on Single Crystalline Anatase TiO2(001) Studied by Photoelectron Spectroscopy

(2008) J. Blomquist et al.   Journal of Physical Chemistry C

Improved High-Temperature Stability and Sun-Light-Driven Photocatalytic Activity of Sulfur-Doped Anatase TiO2

(2008) Pradeepan Periyat et al.   Journal of Physical Chemistry C

Sulfur-Doped Highly Ordered TiO2 Nanotubular Arrays with Visible Light Response

(2008) Xinhu Tang et al.   Journal of Physical Chemistry C

Anatase TiO2 single crystals with a large percentage of reactive facets

(2008) Hua Gui Yang et al.   NATURE