Strain sensitivity of band gaps of Sn-containing semiconductors

Long-term superelastic cycling at nano-scale in Cu-Al-Ni shape memory alloy micropillars

(2014) J. San Juan et al.   APPLIED PHYSICS LETTERS

Layer-Dependent Electrocatalysis of MoS2 for Hydrogen Evolution

(2014) Yifei Yu et al.   NANO LETTERS

New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations

(2014) Ivano E. Castelli et al.   Advanced Energy Materials

Bandgap calculations and trends of organometal halide perovskites

(2014) Ivano E. Castelli et al.   APL Materials

Single-Layer Group-III Monochalcogenide Photocatalysts for Water Splitting

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

Significant Reduction in NiO Band Gap Upon Formation of LixNi1−xO alloys: Applications To Solar Energy Conversion

(2013) Nima Alidoust et al.   ChemSusChem

Stability and bandgaps of layered perovskites for one- and two-photon water splitting

(2013) Ivano E Castelli et al.   NEW JOURNAL OF PHYSICS

Quasiparticle GW calculations for solids, molecules, and two-dimensional materials

(2013) Falco Hüser et al.   PHYSICAL REVIEW B

Role of the plasmon-pole model in theGWapproximation

(2013) Paul Larson et al.   PHYSICAL REVIEW B

Single-layer MoS2 as an efficient photocatalyst

(2013) Yunguo Li et al.   Catalysis Science & Technology

Progress, challenge and perspective of heterogeneous photocatalysts

(2012) Yongquan Qu et al.   CHEMICAL SOCIETY REVIEWS

Structure and band gap tuning of transparent (Ba1−xSrx)SnO3thin films epitaxially grown on MgO substrates

(2012) Qinzhuang Liu et al.   EPL

Zn-Doped CdS Nanoarchitectures Prepared by Hydrothermal Synthesis: Mechanism for Enhanced Photocatalytic Activity and Stability under Visible Light

(2012) Fan Yang et al.   Journal of Physical Chemistry C

Doping of WO3 for Photocatalytic Water Splitting: Hints from Density Functional Theory

(2012) Fenggong Wang et al.   Journal of Physical Chemistry C

Nonlinear variations in the electronic structure of II–VI and III–V wurtzite semiconductors with biaxial strain

(2011) Shenyuan Yang et al.   APPLIED PHYSICS LETTERS

Computational screening of perovskite metal oxides for optimal solar light capture

(2011) Ivano E. Castelli et al.   Energy & Environmental Science

Tuning Semiconductor Band Edge Energies for Solar Photocatalysis via Surface Ligand Passivation

(2011) Shenyuan Yang et al.   NANO LETTERS

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Strain-Induced Band Gap Modification in Coherent Core/Shell Nanostructures

(2010) Shenyuan Yang et al.   NANO LETTERS

Kohn-Sham potential with discontinuity for band gap materials

(2010) M. Kuisma et al.   PHYSICAL REVIEW B

Band Offsets at theSi/SiO2Interface from Many-Body Perturbation Theory

(2008) R. Shaltaf et al.   PHYSICAL REVIEW LETTERS

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

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