Novel silicon phases and nanostructures for solar energy conversion

Generating Free Charges by Carrier Multiplication in Quantum Dots for Highly Efficient Photovoltaics

(2015) Sybren ten Cate et al.   ACCOUNTS OF CHEMICAL RESEARCH

Prospects of Nanoscience with Nanocrystals

(2015) Maksym V. Kovalenko et al.   ACS Nano

Wurtzite silicon as a potential absorber in photovoltaics: Tailoring the optical absorption by applying strain

(2015) C. Rödl et al.   PHYSICAL REVIEW B

Low-density silicon allotropes for photovoltaic applications

(2015) Maximilian Amsler et al.   PHYSICAL REVIEW B

Low-energy tetrahedral polymorphs of carbon, silicon, and germanium

(2015) Andrés Mujica et al.   PHYSICAL REVIEW B

Composition-matched molecular "solders" for semiconductors

(2015) D. S. Dolzhnikov et al.   SCIENCE

Experimental evidence of new tetragonal polymorphs of silicon formed through ultrafast laser-induced confined microexplosion

(2015) L. Rapp et al.   Nature Communications

A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties

(2015) Yaguang Guo et al.   Scientific Reports

Dipole-allowed direct band gap silicon superlattices

(2015) Young Jun Oh et al.   Scientific Reports

Si-based Earth abundant clathrates for solar energy conversion

(2014) Yuping He et al.   Energy & Environmental Science

Ab Initio Optoelectronic Properties of Silicon Nanoparticles: Excitation Energies, Sum Rules, and Tamm–Dancoff Approximation

(2014) Dario Rocca et al.   Journal of Chemical Theory and Computation

Silicon Clathrate Quantum Dots and the Allotropic Dependence of Quantum Confinement

(2014) Nicholas P. Brawand et al.   Journal of Physical Chemistry C

Colloidal Synthesis of an Exotic Phase of Silicon: The BC8 Structure

(2014) Shreyashi Ganguly et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct Band Gap Silicon Allotropes

(2014) Qianqian Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of an open-framework allotrope of silicon

(2014) Duck Young Kim et al.   NATURE MATERIALS

Solar Nanocomposites with Complementary Charge Extraction Pathways for Electrons and Holes: Si Embedded in ZnS

(2014) Stefan Wippermann et al.   PHYSICAL REVIEW LETTERS

Publisher’s Note: Phonon-glass electron-crystal thermoelectric clathrates: Experiments and theory [Rev. Mod. Phys.86, 669 (2014)]

(2014) Toshiro Takabatake et al.   REVIEWS OF MODERN PHYSICS

Enhanced carrier multiplication in engineered quasi-type-II quantum dots

(2014) Claudiu M. Cirloganu et al.   Nature Communications

Germanium nanoparticles with non-diamond core structures for solar energy conversion

(2014) Márton Vörös et al.   Journal of Materials Chemistry A

Tetragonal Phase Germanium Nanocrystals in Lithium Ion Batteries

(2013) Yong Jae Cho et al.   ACS Nano

Band offsets and dielectric properties of the amorphous Si3N4/Si(100) interface: A first-principles study

(2013) T. Anh Pham et al.   APPLIED PHYSICS LETTERS

Scaling size of the interplay between quantum confinement and surface related effects in nanostructured silicon

(2013) G. Seguini et al.   APPLIED PHYSICS LETTERS

Activating Carrier Multiplication in PbSe Quantum Dot Solids by Infilling with Atomic Layer Deposition

(2013) Sybren ten Cate et al.   Journal of Physical Chemistry Letters

PbSe Quantum Dot Field-Effect Transistors with Air-Stable Electron Mobilities above 7 cm2 V–1 s–1

(2013) Yao Liu et al.   NANO LETTERS

sp3-Bonded silicon allotropes based on the Kelvin problem

(2013) Hui-Yan Zhao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Increasing impact ionization rates in Si nanoparticles through surface engineering: A density functional study

(2013) Márton Vörös et al.   PHYSICAL REVIEW B

Towards Direct-Gap Silicon Phases by the Inverse Band Structure Design Approach

(2013) H. J. Xiang et al.   PHYSICAL REVIEW LETTERS

High-Pressure Core Structures of Si Nanoparticles for Solar Energy Conversion

(2013) S. Wippermann et al.   PHYSICAL REVIEW LETTERS

Genetic algorithm prediction of crystal structure of metastable Si-IX phase

(2013) Manh Cuong Nguyen et al.   SOLID STATE COMMUNICATIONS

High charge-carrier mobility enables exploitation of carrier multiplication in quantum-dot films

(2013) C. S. Suchand Sandeep et al.   Nature Communications

Synthesis and optical band gaps of alloyed Si–Ge type II clathrates

(2013) Lauryn L. Baranowski et al.   Journal of Materials Chemistry C

Third Generation Photovoltaics based on Multiple Exciton Generation in Quantum Confined Semiconductors

(2012) Matthew C. Beard et al.   ACCOUNTS OF CHEMICAL RESEARCH

A statistical exploration of multiple exciton generation in silicon quantum dots and optoelectronic application

(2012) W. A. Su et al.   APPLIED PHYSICS LETTERS

Efficient Computation of Hartree–Fock Exchange Using Recursive Subspace Bisection

(2012) François Gygi et al.   Journal of Chemical Theory and Computation

Effect of Solar Concentration on the Thermodynamic Power Conversion Efficiency of Quantum-Dot Solar Cells Exhibiting Multiple Exciton Generation

(2012) Mark C. Hanna et al.   Journal of Physical Chemistry Letters

Modelling amorphous silicon with hydrogenated defects: GW treatment of the ST12 phase

(2012) C Fisker et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Colloidal Atomic Layer Deposition (c-ALD) using Self-Limiting Reactions at Nanocrystal Surface Coupled to Phase Transfer between Polar and Nonpolar Media

(2012) Sandrine Ithurria et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tetragonal Allotrope of Group 14 Elements

(2012) Zhisheng Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Atomic layer deposition of zinc sulfide with Zn(TMHD)2

(2012) Andrew Short et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Quantum dot PbS0.9Se0.1/TiO2heterojunction solar cells

(2012) Guangmei Zhai et al.   NANOTECHNOLOGY

Direct generation of multiple excitons in adjacent silicon nanocrystals revealed by induced absorption

(2012) M. Tuan Trinh et al.   Nature Photonics

Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications

(2012) Silvana Botti et al.   PHYSICAL REVIEW B

Prediction of a metastable phase of silicon in theIbamstructure

(2012) Brad D. Malone et al.   PHYSICAL REVIEW B

Improving accuracy and efficiency of calculations of photoemission spectra within the many-body perturbation theory

(2012) Huy-Viet Nguyen et al.   PHYSICAL REVIEW B

Genetic-Algorithm Discovery of a Direct-Gap and Optically Allowed Superstructure from Indirect-Gap Si and Ge Semiconductors

(2012) Mayeul d’Avezac et al.   PHYSICAL REVIEW LETTERS

Weak electron-phonon coupling contributing to high thermoelectric performance in n-type PbSe

(2012) H. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modeling majority carrier mobility in compensated crystalline silicon for solar cells

(2012) Florian Schindler et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

The energy band alignment of Si nanocrystals in SiO2

(2011) G. Seguini et al.   APPLIED PHYSICS LETTERS

Hall mobility of cuprous oxide thin films deposited by reactive direct-current magnetron sputtering

(2011) Yun Seog Lee et al.   APPLIED PHYSICS LETTERS

Increased open circuit voltage in fluorinated benzothiadiazole-based alternating conjugated polymers

(2011) Yong Zhang et al.   CHEMICAL COMMUNICATIONS

Neutron Diffraction Study of the Type I Clathrate Ba8AlxSi46–x: Site Occupancies, Cage Volumes, and the Interaction between the Guest and the Host Framework

(2011) John H. Roudebush et al.   INORGANIC CHEMISTRY

Wave function engineering: Other phases of Si for photovoltaic applications

(2011) Marvin L. Cohen et al.   JOURNAL OF APPLIED PHYSICS

Pressure-induced phase transformations during femtosecond-laser doping of silicon

(2011) Matthew J. Smith et al.   JOURNAL OF APPLIED PHYSICS

Multiple Exciton Generation in Semiconductor Quantum Dots

(2011) Matthew C. Beard   Journal of Physical Chemistry Letters

Band-like transport, high electron mobility and high photoconductivity in all-inorganic nanocrystal arrays

(2011) Jong-Soo Lee et al.   Nature Nanotechnology

Step-like enhancement of luminescence quantum yield of silicon nanocrystals

(2011) D. Timmerman et al.   Nature Nanotechnology

Tailored Nanoheterojunctions for Optimized Light Emission

(2011) Tianshu Li et al.   PHYSICAL REVIEW LETTERS

Numerical Study of Carrier Multiplication Pathways in Photoexcited Nanocrystal and Bulk Forms of PbSe

(2011) Kirill A. Velizhanin et al.   PHYSICAL REVIEW LETTERS

Peak External Photocurrent Quantum Efficiency Exceeding 100% via MEG in a Quantum Dot Solar Cell

(2011) O. E. Semonin et al.   SCIENCE

Atomic Layer Deposition of Tin Monosulfide Thin Films

(2011) Prasert Sinsermsuksakul et al.   Advanced Energy Materials

Structural Principles of Semiconducting Group 14 Clathrate Frameworks

(2010) Antti J. Karttunen et al.   INORGANIC CHEMISTRY

An exciton scattering model for carrier multiplication in semiconductor nanocrystals: Theory

(2010) Andrei Piryatinski et al.   JOURNAL OF CHEMICAL PHYSICS

An extensive theoretical survey of low-density allotropy in silicon

(2010) Martijn A. Zwijnenburg et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Band alignment at a nonplanarSi/SiO2interface

(2010) K. Seino et al.   PHYSICAL REVIEW B

Quantum Dot Sensitized Solar Cells. A Tale of Two Semiconductor Nanocrystals: CdSe and CdTe

(2009) Jin Ho Bang et al.   ACS Nano

yambo: An ab initio tool for excited state calculations

(2009) Andrea Marini et al.   COMPUTER PHYSICS COMMUNICATIONS

Thermoelectric clathrates of type I

(2009) Mogens Christensen et al.   DALTON TRANSACTIONS

Formation of the ST12 phase in nanocrystalline Ge at ambient pressure

(2009) Suk Jun Kim et al.   JOURNAL OF MATERIALS CHEMISTRY

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

High-Energy Excitations in Silicon Nanoparticles

(2009) Adam Gali et al.   NANO LETTERS

Evolution of metastable phases in silicon during nanoindentation: mechanism analysis and experimental verification

(2009) K Mylvaganam et al.   NANOTECHNOLOGY

Silicon nanocrystallites in aSiO2matrix: Role of disorder and size

(2009) Roberto Guerra et al.   PHYSICAL REVIEW B

Iterative calculations of dielectric eigenvalue spectra

(2009) Hugh F. Wilson et al.   PHYSICAL REVIEW B

Colloidal Nanocrystals with Molecular Metal Chalcogenide Surface Ligands

(2009) M. V. Kovalenko et al.   SCIENCE

Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters

(2008) Prashant V. Kamat   Journal of Physical Chemistry C

The bonding configuration in a partially relaxed pseudomorphic epilayer of SiGe: evidence of the BC-8 phase of silicon

(2008) M Pandey et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Carrier Multiplication in Semiconductor Nanocrystals: Theoretical Screening of Candidate Materials Based on Band-Structure Effects

(2008) Jun-Wei Luo et al.   NANO LETTERS

Space-separated quantum cutting with silicon nanocrystals for photovoltaic applications

(2008) D. Timmerman et al.   Nature Photonics

A new crystalline phase of four-fold coordinated silicon and germanium

(2008) Yoshitaka Fujimoto et al.   NEW JOURNAL OF PHYSICS

Ab initiosurvey of the electronic structure of tetrahedrally bonded phases of silicon

(2008) Brad D. Malone et al.   PHYSICAL REVIEW B

Efficient iterative method for calculations of dielectric matrices

(2008) Hugh F. Wilson et al.   PHYSICAL REVIEW B