Band gap and work function tailoring of SnO2 for improved transparent conducting ability in photovoltaics

Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator

(2015) Paulo V. C. Medeiros et al.   PHYSICAL REVIEW B

First-principle natural band alignment of GaN / dilute-As GaNAs alloy

(2015) Chee-Keong Tan et al.   AIP Advances

Ordinary and extraordinary dielectric functions of rutile SnO2 up to 20 eV

(2014) Martin Feneberg et al.   APPLIED PHYSICS LETTERS

Band Gap Engineering of SnO2 by Epitaxial Strain: Experimental and Theoretical Investigations

(2014) Wei Zhou et al.   Journal of Physical Chemistry C

Crystal electron binding energy and surface work function control of tin dioxide

(2014) Keith T. Butler et al.   PHYSICAL REVIEW B

Valence-band density of states and surface electron accumulation in epitaxialSnO2films

(2014) S. K. Vasheghani Farahani et al.   PHYSICAL REVIEW B

Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding

(2014) Paulo V. C. Medeiros et al.   PHYSICAL REVIEW B

La-doped BaSnO3—Degenerate perovskite transparent conducting oxide: Evidence from synchrotron x-ray spectroscopy

(2013) S. Sallis et al.   APPLIED PHYSICS LETTERS

Band gap engineering of In2O3 by alloying with Tl2O3

(2013) David O. Scanlon et al.   APPLIED PHYSICS LETTERS

Growth, disorder, and physical properties of ZnSnN2

(2013) N. Feldberg et al.   APPLIED PHYSICS LETTERS

Limits to Doping of Wide Band Gap Semiconductors

(2013) Aron Walsh et al.   CHEMISTRY OF MATERIALS

Band alignment of rutile and anatase TiO2

(2013) David O. Scanlon et al.   NATURE MATERIALS

Defect engineering of BaSnO3for high-performance transparent conducting oxide applications

(2013) David O. Scanlon   PHYSICAL REVIEW B

Polymorphism of indium oxide: Materials physics of orthorhombic In2O3

(2013) Aron Walsh et al.   PHYSICAL REVIEW B

The band alignment of Cu2O/ZnO and Cu2O/GaN heterostructures

(2012) B. Kramm et al.   APPLIED PHYSICS LETTERS

Bandgap engineering of ZnSnP2 for high-efficiency solar cells

(2012) David O. Scanlon et al.   APPLIED PHYSICS LETTERS

PbO2: from semi-metal to transparent conducting oxide by defect chemistry control

(2012) Aron Walsh et al.   CHEMICAL COMMUNICATIONS

On the possibility of p-type SnO2

(2012) David O. Scanlon et al.   JOURNAL OF MATERIALS CHEMISTRY

ExtractingEversusk⃗effective band structure from supercell calculations on alloys and impurities

(2012) Voicu Popescu et al.   PHYSICAL REVIEW B

Band discontinuities at Si-TCO interfaces from quasiparticle calculations: Comparison of two alignment approaches

(2012) B. Höffling et al.   PHYSICAL REVIEW B

Transition metal oxide alloys as potential solar energy conversion materials

(2012) Maytal Caspary Toroker et al.   Journal of Materials Chemistry A

Enhanced transparent-conducting fluorine-doped tin oxide films formed by Aerosol-Assisted Chemical Vapour Deposition

(2012) Nuruzzaman Noor et al.   Journal of Materials Chemistry C

Sources of Conductivity and Doping Limits in CdO from Hybrid Density Functional Theory

(2011) Mario Burbano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Tin dioxide from first principles: Quasiparticle electronic states and optical properties

(2011) A. Schleife et al.   PHYSICAL REVIEW B

Prediction of semiconductor band edge positions in aqueous environments from first principles

(2011) Yabi Wu et al.   PHYSICAL REVIEW B

Compositional dependence of structural and electronic properties of Cu2ZnSn(S,Se)4alloys for thin film solar cells

(2011) Shiyou Chen et al.   PHYSICAL REVIEW B

Nature of the Band Gap and Origin of the Conductivity ofPbO2Revealed by Theory and Experiment

(2011) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

Electronic and Structural Properties of SnxTi1−xO2(0.0 ≤x≤ 0.1) Solid Solutions

(2010) M. Hilni Harunsani et al.   CHEMISTRY OF MATERIALS

Understanding conductivity anomalies in CuI-based delafossite transparent conducting oxides: Theoretical insights

(2010) David O. Scanlon et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrogen donors inSnO2studied by infrared spectroscopy and first-principles calculations

(2010) W. M. Hlaing Oo et al.   PHYSICAL REVIEW B

Transparent Conducting Oxides for Photovoltaics: Manipulation of Fermi Level, Work Function and Energy Band Alignment

(2010) Andreas Klein et al.   Materials

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

(2009) Wen Lai Huang   JOURNAL OF COMPUTATIONAL CHEMISTRY

Shallow donor state of hydrogen inIn2O3andSnO2: Implications for conductivity in transparent conducting oxides

(2009) P. D. C. King et al.   PHYSICAL REVIEW B

Intrinsicn-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study ofIn2O3,SnO2, and ZnO

(2009) Péter Ágoston et al.   PHYSICAL REVIEW LETTERS

Upper crustal abundances of trace elements: A revision and update

(2008) Zhaochu Hu et al.   CHEMICAL GEOLOGY

A theoretical investigation of α-Fe2O3–Cr2O3solid solutions

(2008) Sreelekha Benny et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Origins of band-gap renormalization in degenerately doped semiconductors

(2008) Aron Walsh et al.   PHYSICAL REVIEW B

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

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

Sources of Electrical Conductivity inSnO2

(2008) Abhishek Kumar Singh et al.   PHYSICAL REVIEW LETTERS

Present status and future prospects for development of non- or reduced-indium transparent conducting oxide thin films

(2008) Tadatsugu Minami et al.   THIN SOLID FILMS