Different Atomic Terminations Affect the Photocatalytic Nitrogen Fixation of Bismuth Oxybromide: A First Principles Study

Rational design of electrocatalysts and photo(electro)catalysts for nitrogen reduction to ammonia (NH3) under ambient conditions

(2018) Chunxian Guo et al.   Energy & Environmental Science

Photocatalytic Conversion of Nitrogen to Ammonia with Water on Surface Oxygen Vacancies of Titanium Dioxide

(2017) Hiroaki Hirakawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Giant Electron–Hole Interactions in Confined Layered Structures for Molecular Oxygen Activation

(2017) Hui Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxygen vacancies at the Au/SrTiO3(001) interface: stabilities, electronic properties and effect on photocatalysis

(2017) Xiangchao Ma et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Single- and few-layer BiOI as promising photocatalysts for solar water splitting

(2017) Jiajun Wang et al.   RSC Advances

Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots

(2017) Songmei Sun et al.   Journal of Materials Chemistry A

Facet-Dependent Photocatalytic N2 Fixation of Bismuth-Rich Bi5O7I Nanosheets

(2016) Yang Bai et al.   ACS Applied Materials & Interfaces

Giant Enhancement of Internal Electric Field Boosting Bulk Charge Separation for Photocatalysis

(2016) Jie Li et al.   ADVANCED MATERIALS

Interplay of Orbital and Relativistic Effects in Bismuth Oxyhalides: BiOF, BiOCl, BiOBr, and BiOI

(2016) Alex M. Ganose et al.   CHEMISTRY OF MATERIALS

Defect Physics of BiOI as High Efficient Photocatalyst Driven by Visible Light

(2016) Wen-Wu Dai et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Facet-dependent solar ammonia synthesis of BiOCl nanosheets via a proton-assisted electron transfer pathway

(2016) Hao Li et al.   Nanoscale

The photocatalytic properties of ultrathin bismuth oxychloride nanosheets: a first principles study

(2016) Tao Jing et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional theory calculations on oxygen adsorption on the Cu2O surfaces

(2015) Xiaohu Yu et al.   APPLIED SURFACE SCIENCE

Electronic Structure and Optical Properties of BiOI Ultrathin Films for Photocatalytic Water Splitting

(2015) Zong-Yan Zhao et al.   INORGANIC CHEMISTRY

Efficient Visible Light Nitrogen Fixation with BiOBr Nanosheets of Oxygen Vacancies on the Exposed {001} Facets

(2015) Hao Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pressure-induced phase transition of BiOF: novel two-dimensional layered structures

(2015) Dawei Zhou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Controllable synthesis of uniform BiOF nanosheets and their improved photocatalytic activity by an exposed high-energy (002) facet and internal electric field

(2015) Sijia Zou et al.   RSC Advances

Selective photocatalytic N2 fixation dependent on g-C3N4 induced by nitrogen vacancies

(2015) Guohui Dong et al.   Journal of Materials Chemistry A

Oxygen Vacancy Induced Bismuth Oxyiodide with Remarkably Increased Visible-Light Absorption and Superior Photocatalytic Performance

(2014) Yongchao Huang et al.   ACS Applied Materials & Interfaces

Plasmon-Induced Ammonia Synthesis through Nitrogen Photofixation with Visible Light Irradiation

(2014) Tomoya Oshikiri et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical insights into the adsorption of monatomic Ag on the (2×2) BiOCl (001) surfaces

(2014) Xiaochao Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

Structural, Electronic, and Optical Properties of Eu-Doped BiOX (X = F, Cl, Br, I): A DFT+U Study

(2014) Zong-Yan Zhao et al.   INORGANIC CHEMISTRY

Effect of surface structure on workfunction and Schottky-barrier height in SrRuO3/SrTiO3 (001) heterojunctions

(2014) V. Sampath Kumar et al.   JOURNAL OF APPLIED PHYSICS

The Role of Hydrogen on the Adsorption Behavior of Carboxylic Acid on TiO2 Surfaces

(2014) Wolfgang Heckel et al.   Journal of Physical Chemistry C

Mechanism of Superior Visible-Light Photocatalytic Activity and Stability of Hybrid Ag3PO4/Graphene Nanocomposite

(2014) Liang Xu et al.   Journal of Physical Chemistry C

Oxygen vacancy induced selective silver deposition on the {001} facets of BiOCl single-crystalline nanosheets for enhanced Cr(vi) and sodium pentachlorophenate removal under visible light

(2014) Hao Li et al.   Nanoscale

Sustainable molecular oxygen activation with oxygen vacancies on the {001} facets of BiOCl nanosheets under solar light

(2014) Hao Li et al.   Nanoscale

Band structure engineering of monolayer MoS2 by surface ligand functionalization for enhanced photoelectrochemical hydrogen production activity

(2014) Jing Pan et al.   Nanoscale

Study of structural, electronic and optical properties of tungsten doped bismuth oxychloride by DFT calculations

(2014) Wenjuan Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The stabilities and electronic structures of single-layer bismuth oxyhalides for photocatalytic water splitting

(2014) Xue Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Stabilization Mechanism of ZnO Nanoparticles by Fe Doping

(2014) Jianping Xiao et al.   PHYSICAL REVIEW LETTERS

Recent advances in BiOX (X = Cl, Br and I) photocatalysts: synthesis, modification, facet effects and mechanisms

(2014) Liqun Ye et al.   Environmental Science-Nano

Mechanistic aspects of dinitrogen cleavage and hydrogenation to produce ammonia in catalysis and organometallic chemistry: relevance of metal hydride bonds and dihydrogen

(2013) Hong-Peng Jia et al.   CHEMICAL SOCIETY REVIEWS

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

(2013) Houlong L. Zhuang et al.   CHEMISTRY OF MATERIALS

Vacancy Associates Promoting Solar-Driven Photocatalytic Activity of Ultrathin Bismuth Oxychloride Nanosheets

(2013) Meili Guan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Surface Structure-Dependent Molecular Oxygen Activation of BiOCl Single-Crystalline Nanosheets

(2013) Kun Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photo-illuminated diamond as a solid-state source of solvated electrons in water for nitrogen reduction

(2013) Di Zhu et al.   NATURE MATERIALS

Novel noble metal (Rh, Pd, Pt)/BiOX(Cl, Br, I) composite photocatalysts with enhanced photocatalytic performance in dye degradation

(2013) Changlin Yu et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Transition Metal Oxide Work Functions: The Influence of Cation Oxidation State and Oxygen Vacancies

(2012) Mark T. Greiner et al.   ADVANCED FUNCTIONAL MATERIALS

Effects of oxygen vacancy on the electronic structure and absorption spectra of bismuth oxychloride

(2012) Xiaochao Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles determination of the absolute band-edge positions of BiOX (X=F, Cl, Br, I)

(2012) Wen Lai Huang   COMPUTATIONAL MATERIALS SCIENCE

Synthesis and Facet-Dependent Photoreactivity of BiOCl Single-Crystalline Nanosheets

(2012) Jing Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First-principles study on the structural, electronic and optical properties of BiOX (X=Cl, Br, I) crystals

(2012) Lijun Zhao et al.   PHYSICA B-CONDENSED MATTER

First-principles studies on facet-dependent photocatalytic properties of bismuth oxyhalides (BiOXs)

(2012) Haijun Zhang et al.   RSC Advances

The {001} facets-dependent high photoactivity of BiOCl nanosheets

(2011) Liqun Ye et al.   CHEMICAL COMMUNICATIONS

Synthesis of highly symmetrical BiOI single-crystal nanosheets and their {001} facet-dependent photoactivity

(2011) Liqun Ye et al.   JOURNAL OF MATERIALS CHEMISTRY

First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes

(2011) Maytal Caspary Toroker et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Homogeneous iron complexes for the conversion of dinitrogen into ammonia and hydrazine

(2010) Nilay Hazari   CHEMICAL SOCIETY REVIEWS

Structural, electronic properties and stability of the (1×1) PbTiO3 (111) polar surfaces by first-principles calculations

(2009) Qing Pang et al.   APPLIED SURFACE SCIENCE

Electronic structures and optical properties of BiOX (X = F, Cl, Br, I) via DFT calculations

(2009) Wen Lai Huang   JOURNAL OF COMPUTATIONAL CHEMISTRY

Identifying Optimal Inorganic Nanomaterials for Hybrid Solar Cells

(2009) Hongjun Xiang et al.   Journal of Physical Chemistry C

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

First-principles study of the (110) polar surface of cubic PbTiO3

(2008) Jian-Min Zhang et al.   COMPUTATIONAL MATERIALS SCIENCE

First-principles calculations of the stability and electronic properties of the PbTiO3(110) polar surface

(2008) Guo-Xu Zhang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS