Comparative study for effect of Ti, Nb and W incorporation on the electronic and optical properties of pristine hafnia (m-HfO2): DFT theoretical prospective

Unraveling the effect of sulfur doping into electronic and optical performance of monoclinic hafnium dioxide (m-HfO2: S): an (DFT + U) insights report

(2022) Tamer S. EL-Shazly et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

(2021) Nicole E. Kirchner-Hall et al.   Applied Sciences-Basel

Warming spins up the Southern Ocean

(2021) Andrew L. Stewart   Nature Climate Change

Near-term transition and longer-term physical climate risks of greenhouse gas emissions pathways

(2021) Ajay Gambhir et al.   Nature Climate Change

Global warming decreases connectivity among coral populations

(2021) Joana Figueiredo et al.   Nature Climate Change

Band Structure Engineering and Optical Properties of Pristine and Doped Monoclinic Zirconia (m-ZrO2): Density Functional Theory Theoretical Prospective

(2021) El-Sayed R. Khattab et al.   ACS Omega

Computational Design of Novel Hydrogen-Doped, Oxygen-Deficient Monoclinic Zirconia with Excellent Optical Absorption and Electronic Properties

(2019) Sarah A. Tolba et al.   Scientific Reports

Effect of Zr doping and lattice oxygen release on the resistive switching properties of Zr Hf1−O2-based metal-oxide-semiconductor devices

(2019) Rezwana Sultana et al.   MICROELECTRONIC ENGINEERING

First principles investigation of Y2O3-doped HfO2

(2019) A. C. M. Padilha et al.   JOURNAL OF APPLIED PHYSICS

Optical and electronic properties of niobium oxynitrides with various N/O ratios: insights from first-principles calculations

(2018) Tamer S. El-Shazly et al.   Journal of Photonics for Energy

A comprehensive study on the structural evolution of HfO2 thin films doped with various dopants

(2017) M. H. Park et al.   Journal of Materials Chemistry C

Electronic structures and optical properties of monoclinic ZrO2 studied by first-principles local density approximation + U approach

(2017) Jinping Li et al.   Journal of Advanced Ceramics

DFT insights into the electronic and optical properties of fluorine-doped monoclinic niobium pentoxide (B-Nb2O5:F)

(2016) Tamer S. El-Shazly et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Tuning The Photoactivity of Zirconia Nanotubes-Based Photoanodes via Ultrathin Layers of ZrN: An Effective Approach toward Visible-Light Water Splitting

(2016) Ahmad W. Amer et al.   Journal of Physical Chemistry C

Accurate prediction of band gaps and optical properties of HfO2

(2016) Pavel Ondračka et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Graphene-Based Photocatalysts for Solar-Fuel Generation

(2015) Quanjun Xiang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Research progress of perovskite materials in photocatalysis- and photovoltaics-related energy conversion and environmental treatment

(2015) Wei Wang et al.   CHEMICAL SOCIETY REVIEWS

Unravelling the interplay of dopant concentration and band structure engineering of monoclinic niobium pentoxide: A model photoanode for water splitting

(2015) T.S. El-Shazly et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Self-Assembled Nanostructured Photoanodes with Staggered Bandgap for Efficient Solar Energy Conversion

(2014) Ramy Nashed et al.   ACS Nano

Recent advances in the use of metal oxide-based photocathodes for solar fuel production

(2014) Nasser K. Awad et al.   Journal of Renewable and Sustainable Energy

Effects of Mg-Doping on ${\rm HfO}_{2}$-Based ReRAM Device Switching Characteristics

(2013) Branden Michael Long et al.   IEEE ELECTRON DEVICE LETTERS

Electronic, dielectric, and optical properties of the B phase of niobium pentoxide and tantalum pentoxide by first-principles calculations

(2013) Santiago Pérez-Walton et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Electronic and optical properties of TaO1−xN1+x-based alloys

(2012) Nabil Al-Aqtash et al.   JOURNAL OF SOLID STATE CHEMISTRY

Electronic band structure of zirconia and hafnia polymorphs from theGWperspective

(2010) Hong Jiang et al.   PHYSICAL REVIEW B

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

First-principles study on doping and phase stability ofHfO2

(2008) Choong-Ki Lee et al.   PHYSICAL REVIEW B

Band offsets of ultrathin high-κoxide films with Si

(2008) Eric Bersch 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