Related references
Note: Only part of the references are listed.First-Principles Study of the Hexagonal T-Phase PdSe2 Monolayer and Its Application in Solar Cells
Mukesh Jakhar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Single-layer planar penta-X2N4 (X = Ni, Pd and Pt) as direct-bandgap semiconductors from first principle calculations
Jun-Hui Yuan et al.
APPLIED SURFACE SCIENCE (2019)
Predictions of phase stabilities, electronic structures and optical properties of potential superhard WB3
Dan Liu et al.
CERAMICS INTERNATIONAL (2019)
Electronic properties and optical behaviors of bulk and monolayer ZrS2: A theoretical investigation
Tuan V. Vu et al.
SUPERLATTICES AND MICROSTRUCTURES (2019)
The mechanical, electronic and optical properties of two-dimensional transition metal chalcogenides MX2 and M2X3 (M = Ni, Pd; X = S, Se, Te) with hexagonal and orthorhombic structures
Wenqi Xiong et al.
JOURNAL OF MATERIALS CHEMISTRY C (2019)
Structural properties, electronic structures and optical properties of WB2 with different structures: A theoretical investigation
Dan Liu et al.
CERAMICS INTERNATIONAL (2018)
Cluster-Assembled Semiconductor CdO Polymorph with Good Ductility, High Carrier Mobility, and Promising Optical Properties
Ruotong Zhang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Pressure-induced phase transition, metallization and superconductivity in ZrS2
Hang Zhai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Elastic, electronic, and dielectric properties of bulk and monolayer ZrS2, ZrSe2, HfS2, HfSe2 from van der Waals density-functional theory
Qiyi Zhao et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2017)
Exploration of crystal structures and phase transitions in Hf3N4
Feng Zheng et al.
CRYSTENGCOMM (2017)
Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities
Shengli Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Optical spectrum and excitons in bulk and monolayer MX2 (M=Zr, Hf; X=S, Se)
Mahmud Abdulsalam et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2016)
Two-Dimensional SiS Layers with Promising Electronic and Optoelectronic Properties: Theoretical Prediction
Ji-Hui Yang et al.
NANO LETTERS (2016)
Two novel silicon phases with direct band gaps
Qingyang Fan et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Novel silicon phases and nanostructures for solar energy conversion
Stefan Wippermann et al.
APPLIED PHYSICS REVIEWS (2016)
Tuning the Optical, Magnetic, and Electrical Properties of ReSe2 by Nanoscale Strain Engineering
Shengxue Yang et al.
NANO LETTERS (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties
Yaguang Guo et al.
SCIENTIFIC REPORTS (2015)
Enabling Silicon for Solar-Fuel Production
Ke Sun et al.
CHEMICAL REVIEWS (2014)
Predicting New TiO2 Phases with Low Band Gaps by a Multiobjective Global Optimization Approach
Hou-Zun Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Tuning Electronic and Magnetic Properties of Early Transition-Metal Dichalcogenides via Tensile Strain
Hongyan Guo et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Direct Band Gap Silicon Allotropes
Qianqian Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Indirect-to-direct band gap transition of the ZrS2 monolayer by strain: first-principles calculations
Yan Li et al.
RSC ADVANCES (2014)
Electronic Structural Moire Pattern Effects on MoS2/MoSe2 2D Heterostructures
Jun Kang et al.
NANO LETTERS (2013)
Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach
H. J. Xiang et al.
PHYSICAL REVIEW LETTERS (2013)
Strain-dependent electronic and magnetic properties of MoS2 monolayer, bilayer, nanoribbons and nanotubes
Peng Lu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Semiconductor-metal transition in semiconducting bilayer sheets of transition-metal dichalcogenides
Swastibrata Bhattacharyya et al.
PHYSICAL REVIEW B (2012)
Building integrated photovoltaic products: A state-of-the-art review and future research opportunities
Bjorn Petter Jelle et al.
SOLAR ENERGY MATERIALS AND SOLAR CELLS (2012)
Structural and electronic properties of ZrX2 and HfX2 (X = S and Se) from first principles calculations
Hong Jiang
JOURNAL OF CHEMICAL PHYSICS (2011)
Semiconductor solar cells: Recent progress in terrestrial applications
V. Avrutin et al.
SUPERLATTICES AND MICROSTRUCTURES (2011)
Crystal structure prediction via particle-swarm optimization
Yanchao Wang et al.
PHYSICAL REVIEW B (2010)
Frictional Characteristics of Atomically Thin Sheets
Changgu Lee et al.
SCIENCE (2010)
Prediction of electronic, structural and elastic properties of the hardest oxide: TiO2
M. A. Caravaca et al.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS (2009)
Crystal structures and elastic properties of superhard IrN2 and IrN3 from first principles
Zhi-jian Wu et al.
PHYSICAL REVIEW B (2007)
Microscopic mechanism of the wurtzite-to-rocksalt phase transition of the group-III nitrides from first principles
Jin Cai et al.
PHYSICAL REVIEW B (2007)
Linear optical properties of solids within the full-potential linearized augmented planewave method
Claudia Ambrosch-Draxl et al.
COMPUTER PHYSICS COMMUNICATIONS (2006)
Solar photovoltaics R&D at the tipping point: A 2005 technology overview
LL Kazmerski
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA (2006)
Low-temperature polymorphs of ZrO2 and HfO2:: A density-functional theory study -: art. no. 144107
JE Jaffe et al.
PHYSICAL REVIEW B (2005)
Hybrid functionals based on a screened Coulomb potential
J Heyd et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress
Y Le Page et al.
PHYSICAL REVIEW B (2002)
Electronic band structure of single-crystal and single-layer WS2:: Influence of interlayer van der Waals interactions -: art. no. 205416
A Klein et al.
PHYSICAL REVIEW B (2001)
Combined photoemission and inverse photoemission study of HfS2 -: art. no. 035107
M Traving et al.
PHYSICAL REVIEW B (2001)