Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

Determination of the electronic, dielectric, and optical properties of sillenite Bi12TiO20 and perovskite-like Bi4Ti3O12 materials from hybrid first-principle calculations

(2016) Sheikha Lardhi et al.   JOURNAL OF CHEMICAL PHYSICS

First-Principles Investigation of Optoelectronic and Redox Properties of (Ta1–xNbx)ON Compounds for Photocatalysis

(2015) Moussab Harb   Journal of Physical Chemistry C

Predicting suitable optoelectronic properties of monoclinic VON semiconductor crystals for photovoltaics using accurate first-principles computations

(2015) Moussab Harb   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Combined experimental–theoretical study of the optoelectronic properties of non-stoichiometric pyrochlore bismuth titanate

(2015) Dalal Noureldine et al.   Journal of Materials Chemistry C

UV-Vis optoelectronic properties of α-SnWO4: A comparative experimental and density functional theory based study

(2015) Ahmed Ziani et al.   APL Materials

Semiconductors Used in Photovoltaic and Photocatalytic Devices: Assessing Fundamental Properties from DFT

(2014) Tangui Le Bahers et al.   Journal of Physical Chemistry C

Major Difference in Visible-Light Photocatalytic Features between Perfect and Self-Defective Ta3N5 Materials: A Screened Coulomb Hybrid DFT Investigation

(2014) Moussab Harb et al.   Journal of Physical Chemistry C

Structural, electronic, vibrational and dielectric properties of selected high-shape Ksemiconductor oxides

(2014) L M R Scolfaro et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Screened coulomb hybrid DFT investigation of band gap and optical absorption predictions of CuVO3, CuNbO3 and Cu5Ta11O30 materials

(2014) Moussab Harb et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compositions: a first-principles viewpoint

(2014) Moussab Harb et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optoelectronic properties ofTa3N5: A joint theoretical and experimental study

(2014) Juliana M. Morbec et al.   PHYSICAL REVIEW B

Research Update: Strategies for efficient photoelectrochemical water splitting using metal oxide photoanodes

(2014) Seungho Cho et al.   APL Materials

New Insights into the Origin of Visible-Light Photocatalytic Activity in Se-Modified Anatase TiO2 from Screened Coulomb Hybrid DFT Calculations

(2013) Moussab Harb   Journal of Physical Chemistry C

Anionic or Cationic S-Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles Calculations

(2013) M. Harb et al.   Journal of Physical Chemistry C

Determination of the Electronic Structure and UV–Vis Absorption Properties of (Na2–xCux)Ta4O11 from First-Principle Calculations

(2013) Moussab Harb et al.   Journal of Physical Chemistry C

Screened Coulomb Hybrid DFT Study on Electronic Structure and Optical Properties of Anionic and Cationic Te-Doped Anatase TiO2

(2013) Moussab Harb   Journal of Physical Chemistry C

Sintering Mechanism and Microwave Dielectric Properties of Bi12TiO20Ceramics

(2013) Byoung-Jik Jeong et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Electrospun sillenite Bi12MO20 (M = Ti, Ge, Si) nanofibers: general synthesis, band structure, and photocatalytic activity

(2013) Dongfang Hou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Template-free and morphology-controlled hydrothermal growth of single-crystalline Bi12TiO20 with excellent simulated sunlight photocatalytic activity

(2013) Wan Guo et al.   RSC Advances

The Artificial Leaf

(2012) Daniel G. Nocera   ACCOUNTS OF CHEMICAL RESEARCH

Bonding and electronic structure of sillenites

(2012) Sergio A.S. Farias et al.   CHEMICAL PHYSICS LETTERS

Bi2Ti2O7: It Is Not What You Have Read

(2011) J. Roberto Esquivel-Elizondo et al.   CHEMISTRY OF MATERIALS

Structural, electronic, optical, and magneto-optical properties of Bi12MO20 (M = Ti, Ge, Si) sillenite crystals from first principles calculations

(2011) A. F. Lima et al.   JOURNAL OF APPLIED PHYSICS

Bi4Ti3O12 nanosheets/TiO2 submicron fibers heterostructures: in situ fabrication and high visible light photocatalytic activity

(2011) Tieping Cao et al.   JOURNAL OF MATERIALS CHEMISTRY

Origin of the Enhanced Visible-Light Absorption in N-Doped Bulk Anatase TiO2 from First-Principles Calculations

(2011) M. Harb et al.   Journal of Physical Chemistry C

Ab initioenergetics of lanthanum substitution in ferroelectric bismuth titanate

(2011) S H Shah et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Electrochemical Synthesis of Nanocrystalline Bi12TiO20 Powders and their Photocatalytic Ability under Visible Light

(2011) Chang Gao et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Study on visible light photocatalytic activity and mechanism of spherical Bi12TiO20 nanoparticles prepared by low-power hydrothermal method

(2010) Xiangqi Zhu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Ab initio study of structural, electronic and optical properties of the Bi12TiO20 sillenite crystal

(2010) A.F. Lima et al.   COMPUTATIONAL MATERIALS SCIENCE

Hierarchical assemblies of bismuth titanate complex architectures and their visible-light photocatalytic activities

(2010) Jungang Hou et al.   JOURNAL OF MATERIALS CHEMISTRY

Band-Engineered Bismuth Titanate Pyrochlores for Visible Light Photocatalysis

(2010) Sankaran Murugesan et al.   Journal of Physical Chemistry C

Hydrothermal Synthesis of Bi12TiO20 Nanostrucutures Using Anodized TiO2 Nanotubes and Its Application in Photovoltaics

(2010) Sankaran Murugesan et al.   Journal of Physical Chemistry Letters

First-principles calculations of Born effective charges and spontaneous polarization of ferroelectric bismuth titanate

(2010) Amritendu Roy et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Sol-Gel Processing of Bi2Ti2O7 and Bi2Ti4O11 Films with Photocatalytic Activity

(2010) Tongjit Kidchob et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Computer modelling of Bi12TiO20: Intrinsic defects, ion migration and rare earth ion incorporation

(2010) Robert A. Jackson et al.   OPTICAL MATERIALS

Solution-phase synthesis of single-crystalline Bi12TiO20 nanowires with photocatalytic properties

(2009) Jungang Hou et al.   CHEMICAL COMMUNICATIONS

First-Principles Characterization of Bi-based Photocatalysts: Bi12TiO20, Bi2Ti2O7, and Bi4Ti3O12

(2009) Wei Wei et al.   Journal of Physical Chemistry C

Dielectric, Ferroelectric and Electrical Properties of Bi4Ti3O12 Ceramics with Nd/V and Nd/Nb Co-Doping

(2009) Jin Soo Kim et al.   JOURNAL OF THE KOREAN PHYSICAL SOCIETY

Preparation and photocatalytic properties of sillenite Bi12TiO20 films

(2008) Haiping Zhang et al.   SURFACE & COATINGS TECHNOLOGY