The Electronic Structures and Optical Properties of Alkaline-Earth Metals Doped Anatase TiO2: A Comparative Study of Screened Hybrid Functional and Generalized Gradient Approximation

Performance enhancement of perovskite solar cells with Mg-doped TiO2 compact film as the hole-blocking layer

(2015) Jing Wang et al.   APPLIED PHYSICS LETTERS

DFT+U Study of the Surface Structure and Stability of Co3O4(110): Dependence on U

(2015) Sencer Selcuk et al.   Journal of Physical Chemistry C

Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials

(2014) Filippo De Angelis et al.   CHEMICAL REVIEWS

Photovoltaic Performance Improvement of Dye-Sensitized Solar Cells Based on Mg-Doped TiO2 Thin Films

(2014) QiuPing Liu   ELECTROCHIMICA ACTA

Room-temperature ferromagnetism and optical properties in Mg-doped TiO2: A density functional theory investigation

(2014) Yanyu Liu et al.   JOURNAL OF APPLIED PHYSICS

Influences of metallic doping on anatase crystalline titanium dioxide: From electronic structure aspects to efficiency of TiO2-based dye sensitized solar cell (DSSC)

(2014) Thuy Trang Nguyen et al.   MATERIALS CHEMISTRY AND PHYSICS

Mg-doped TiO2 nanorods improving open-circuit voltages of ammonium lead halide perovskite solar cells

(2014) K. Manseki et al.   RSC Advances

Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)

(2013) Michael A. Henderson et al.   CHEMICAL REVIEWS

The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies

(2013) Ali Ahmadi Peyghan et al.   PHYSICA B-CONDENSED MATTER

Fabrication of a dye-sensitized solar cell containing a Mg-doped TiO2electrode and a Br3−/Br−redox mediator with a high open-circuit photovoltage of 1.21 V

(2012) Kenji Kakiage et al.   CHEMICAL COMMUNICATIONS

New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides

(2012) Peilin Liao et al.   CHEMICAL SOCIETY REVIEWS

First-principles study of Fe-based superconductors: A comparison of screened hybrid functional with gradient corrected functional

(2012) Kai Liu et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles calculations of Cd1−xZnxS doped with alkaline earth metals for photocatalytic hydrogen generation

(2012) Po Wu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen interaction with the anatase TiO2(101) surface

(2012) Ulrich Aschauer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Range-separated hybrid exchange-correlation functional analyses of anatase TiO2doped with W, N, S, W/N, or W/S

(2012) Veysel Çelik et al.   PHYSICAL REVIEW B

Calculation of point defects in rutile TiO2by the screened-exchange hybrid functional

(2012) Hsin-Yi Lee et al.   PHYSICAL REVIEW B

Enhancement of the photocatalytic activity of TiO2 by doping it with calcium ions

(2011) U.G. Akpan et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Charge Recombination and Band-Edge Shift in the Dye-Sensitized Mg2+-Doped TiO2Solar Cells

(2011) Changneng Zhang et al.   Journal of Physical Chemistry C

Tailoring the electronic structure of TiO2by cation codoping from hybrid density functional theory calculations

(2011) Run Long et al.   PHYSICAL REVIEW B

Semiconductor-based Photocatalytic Hydrogen Generation

(2010) Xiaobo Chen et al.   CHEMICAL REVIEWS

Enhanced photocatalytic activity of beryllium doped titania in visible light on the degradation of methyl orange dye

(2010) Balaram Kiran Avasarala et al.   International Journal of Materials Research

Doping a TiO2 Photoanode with Nb5+ to Enhance Transparency and Charge Collection Efficiency in Dye-Sensitized Solar Cells

(2010) Aravind Kumar Chandiran et al.   Journal of Physical Chemistry C

A first-principles theoretical simulation on the electronic structures and optical absorption properties for O vacancy and Ni impurity in TiO2 photocatalysts

(2010) Zhaohui Zhou et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Conduction Band Energy Level Control of Titanium Dioxide: Toward an Efficient Visible-Light-Sensitive Photocatalyst

(2010) Huogen Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Origin of improved visible photocatalytic activity of nitrogen/hydrogen codoped cubic In2O3: first-principles calculations

(2010) Honggang Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Small polarons in Nb- and Ta-doped rutile and anatase TiO2

(2009) Benjamin J. Morgan et al.   JOURNAL OF MATERIALS CHEMISTRY

Synergistic Effects of Bi/S Codoping on Visible Light-Activated Anatase TiO2 Photocatalysts from First Principles

(2009) Run Long et al.   Journal of Physical Chemistry C

Design of Narrow-GapTiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity

(2009) Yanqin Gai et al.   PHYSICAL REVIEW LETTERS

First-principles study of anatase and rutileTiO2doped with Eu ions: A comparison of GGA andLDA+Ucalculations

(2008) A. Rubio-Ponce et al.   PHYSICAL REVIEW B

Atomic Control of Conductivity Versus Ferromagnetism in Wide-Gap Oxides Via Selective Doping: V, Nb, Ta in AnataseTiO2

(2008) Jorge Osorio-Guillén et al.   PHYSICAL REVIEW LETTERS