相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Wannier90 as a community code: new features and applications
Giovanni Pizzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2020)
3-(p-nitrophenyl)Coumarin derivatives: Synthesis, linear and nonlinear optical properties
N. Ben Azaza et al.
OPTICAL MATERIALS (2019)
Structural phase transition, electronic and lattice dynamical properties of half-Heusler compound CaAuBi
Deepika Shrivastava et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2018)
Cuprous oxide (Cu2O) crystals with tailored architectures: A comprehensive review on synthesis, fundamental properties, functional modifications and applications
Shaodong Sun et al.
PROGRESS IN MATERIALS SCIENCE (2018)
The consequences of spatially differentiated water pollution regulation in China
Zhao Chen et al.
JOURNAL OF ENVIRONMENTAL ECONOMICS AND MANAGEMENT (2018)
Advanced capabilities for materials modelling with QUANTUM ESPRESSO
P. Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
First-principles analysis of electron transport in BaSnO3
Karthik Krishnaswamy et al.
PHYSICAL REVIEW B (2017)
EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions
S. Ponce et al.
COMPUTER PHYSICS COMMUNICATIONS (2016)
Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere et al.
SCIENCE (2016)
Computational predictions of energy materials using density functional theory
Anubhav Jain et al.
NATURE REVIEWS MATERIALS (2016)
Karl Badeker (1877-1914) and the discovery of transparent conductive materials
Marius Grundmann
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
Electron affinities and ionization energies of Cu and Ag delafossite compounds: A hybrid functional study
Mao-Sheng Miao et al.
PHYSICAL REVIEW B (2014)
The high-throughput highway to computational materials design
Stefano Curtarolo et al.
NATURE MATERIALS (2013)
Vibrational properties of SrCu2O2 studied via Density Functional Theory calculations and compared to Raman and infrared spectroscopy measurements
J. Even et al.
THIN SOLID FILMS (2013)
Importance of non-parabolic band effects in the thermoelectric properties of semiconductors
Xin Chen et al.
SCIENTIFIC REPORTS (2013)
Towards better photocatalysts: first-principles studies of the alloying effects on the photocatalytic activities of bismuth oxyhalides under visible light
Haijun Zhang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Maximally localized Wannier functions: Theory and applications
Nicola Marzari et al.
REVIEWS OF MODERN PHYSICS (2012)
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Optical and microstructural properties of p-type SrCu2O2:: First principles modeling and experimental studies
M. Modreanu et al.
THIN SOLID FILMS (2007)
Electron-phonon interaction using Wannier functions
Feliciano Giustino et al.
PHYSICAL REVIEW B (2007)
Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles
Zhi-jian Wu et al.
PHYSICAL REVIEW B (2007)
Screened hybrid density functionals applied to solids -: art. no. 154709
J Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set
J Paier et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Water photoreduction with Cu2O quantum dots on TiO2 nano-particles
MKI Senevirathna et al.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY (2005)
A CU2O/TiO2 heterojunction thin film cathode for photoelectrocatalysis
W Siripala et al.
SOLAR ENERGY MATERIALS AND SOLAR CELLS (2003)
Cu-Cu interactions in the transparent p-type conductors:: CuAlO2 and SrCu2O2
S Boudin et al.
SOLID STATE SCIENCES (2003)
First-principles study of transparent p-type conductive SrCu2O2 and related compounds -: art. no. 075111
XL Nie et al.
PHYSICAL REVIEW B (2002)
Electronic structure and optical properties of SrCu2O2
H Ohta et al.
JOURNAL OF APPLIED PHYSICS (2002)
Phonons and related crystal properties from density-functional perturbation theory
S Baroni et al.
REVIEWS OF MODERN PHYSICS (2001)
Transparent p-type conducting oxides:: Design and fabrication of p-n heterojunctions
H Kawazoe et al.
MRS BULLETIN (2000)
Investigation of photoelectrochemical characteristics of n-type Cu2O films
CAN Fernando et al.
SOLAR ENERGY MATERIALS AND SOLAR CELLS (2000)
分享论文
