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。What Is Moving in Hybrid Halide Perovskite Solar Cells?
Jarvist M. Frost et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Computational materials design of crystalline solids
Keith T. Butler et al.
CHEMICAL SOCIETY REVIEWS (2016)
Driving forces for the phase transition of CuQ(2)-TCNQ molecular crystals
Dehong Yu et al.
CRYSTENGCOMM (2016)
Defects and disorder in metal organic frameworks
Anthony K. Cheetham et al.
DALTON TRANSACTIONS (2016)
First-principles calculations of phonons and Raman spectra in the Hg3Te2Cl2 crystals
O. V. Bokotey et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2016)
Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase
Ana L. Montero-Alejo et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Thermodynamic Origin of Photoinstability in the CH3NH3Pb(I1-xBrx)3 Hybrid Halide Perovskite Alloy
Federico Brivio et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
An Adsorbate Discriminatory Gate Effect in a Flexible Porous Coordination Polymer for Selective Adsorption of CO2 over C2H2
Maw Lin Foo et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Molecular disorder and translation/rotation coupling in the plastic crystal phase of hybrid perovskites
J. Even et al.
NANOSCALE (2016)
A pressure-amplifying framework material with negative gas adsorption transitions
Simon Krause et al.
NATURE (2016)
Efficient Ab initio Modeling of Random Multicomponent Alloys
Chao Jiang et al.
PHYSICAL REVIEW LETTERS (2016)
Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2](1-x)[ NH3OH](x)Zn(HCOO)(3)
Gregor Kieslich et al.
CHEMICAL SCIENCE (2016)
The synthesis, structure and electronic properties of a lead-free hybrid inorganic-organic double perovskite (MA)2KBiCl6 (MA = methylammonium)
Fengxia Wei et al.
MATERIALS HORIZONS (2016)
Analysis of electrostatic stability and ordering in quaternary perovskite solid solutions
Clovis Caetano et al.
PHYSICAL REVIEW B (2016)
Touchless Optical Finger Motion Tracking Based on 2D Nanosheets with Giant Moisture Responsiveness
Katalin Szendrei et al.
ADVANCED MATERIALS (2015)
Extreme Flexibility in a Zeolitic Imidazolate Framework: Porous to Dense Phase Transition in Desolvated ZIF-4
Michael T. Wharmby et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Defect-Engineered Metal-Organic Frameworks
Zhenlan Fang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Role of entropic effects in controlling the polymorphism in formate ABX(3) metal-organic frameworks
Gregor Kieslich et al.
CHEMICAL COMMUNICATIONS (2015)
Static and lattice vibrational energy differences between polymorphs
Jonas Nyman et al.
CRYSTENGCOMM (2015)
Tunable Catalytic Activity of Solid Solution Metal-Organic Frameworks in One-Pot Multicomponent Reactions
Lina Maria Aguirre-Diaz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
Thomas M. McDonald et al.
NATURE (2015)
Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal-organic framework
Matthew J. Cliffe et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Vibrational contributions to the phase stability of PbS-PbTe alloys
Jeff W. Doak et al.
PHYSICAL REVIEW B (2015)
Tracking the continuous spin-flop transition in Ni3TeO6 by infrared spectroscopy
Michael O. Yokosuk et al.
PHYSICAL REVIEW B (2015)
Role of vibrational and configurational excitations in stabilizing the L12 structure in Co-rich Co-Al-W alloys
Robert K. Rhein et al.
PHYSICAL REVIEW B (2015)
Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
Federico Brivio et al.
PHYSICAL REVIEW B (2015)
High-performance photovoltaic perovskite layers fabricated through intramolecular exchange
Woon Seok Yang et al.
SCIENCE (2015)
First principles phonon calculations in materials science
Atsushi Togo et al.
SCRIPTA MATERIALIA (2015)
Entropy-stabilized oxides
Christina M. Rost et al.
NATURE COMMUNICATIONS (2015)
Hybrid glasses from strong and fragile metal-organic framework liquids
Thomas D. Bennett et al.
NATURE COMMUNICATIONS (2015)
Band alignment of the hybrid halide perovskites CH3NH3PbCl3, CH3NH3PbBr3 and CH3NH3PbI3
Keith T. Butler et al.
MATERIALS HORIZONS (2015)
Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal-Organic Frameworks by Modifying the Framework Inorganic Anion
Chompoonoot Nanthamathee et al.
CHEMISTRY OF MATERIALS (2015)
Defect-dependent colossal negative thermal expansion in UiO-66(Hf) metal-organic framework
Matthew J. Cliffe et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Predicting crystal structures of organic compounds
Sarah L. Price
CHEMICAL SOCIETY REVIEWS (2014)
High-throughput computational screening of metal-organic frameworks
Yamil J. Colon et al.
CHEMICAL SOCIETY REVIEWS (2014)
Flexible metal-organic frameworks
A. Schneemann et al.
CHEMICAL SOCIETY REVIEWS (2014)
Phase diagram of In-Co-Sb system and thermoelectric properties of In-containing skutterudites
Yinglu Tang et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
Structural Complexity in Metal-Organic Frameworks: Simultaneous Modification of Open Metal Sites and Hierarchical Porosity by Systematic Doping with Defective Linkers
Zhenlan Fang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Caloric materials near ferroic phase transitions
X. Moya et al.
NATURE MATERIALS (2014)
Acoustic phonons and negative thermal expansion in MOF-5
Leila H. N. Rimmer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Thermal physics of the lead chalcogenides PbS, PbSe, and PbTe from first principles
Jonathan M. Skelton et al.
PHYSICAL REVIEW B (2014)
Role of Dispersion Interactions in the Polymorphism and Entropic Stabilization of the Aspirin Crystal
Anthony M. Reilly et al.
PHYSICAL REVIEW LETTERS (2014)
Predicted crystal energy landscapes of porous organic cages
Edward O. Pyzer-Knapp et al.
CHEMICAL SCIENCE (2014)
The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials
Sergi Vela et al.
NATURE COMMUNICATIONS (2014)
Correlated defect nanoregions in a metal-organic framework
Matthew J. Cliffe et al.
NATURE COMMUNICATIONS (2014)
Massive Anisotropic Thermal Expansion and Thermo-Responsive Breathing in Metal-Organic Frameworks Modulated by Linker Functionalization
Sebastian Henke et al.
ADVANCED FUNCTIONAL MATERIALS (2013)
Analysis of Enantiospecific and Diastereomeric Cocrystal Systems by Crystal Structure Prediction
Matthew Habgood
CRYSTAL GROWTH & DESIGN (2013)
Stability of xenon oxides at high pressures
Qiang Zhu et al.
NATURE CHEMISTRY (2013)
Effects of lower symmetry and dimensionality on Raman spectra in two-dimensional WSe2
Xin Luo et al.
PHYSICAL REVIEW B (2013)
Prediction of high-entropy stabilized solid-solution in multi-component alloys
X. Yang et al.
MATERIALS CHEMISTRY AND PHYSICS (2012)
Large-scale screening of hypothetical metal-organic frameworks
Christopher E. Wilmer et al.
NATURE CHEMISTRY (2012)
Copper ion liquid-like thermoelectrics
Huili Liu et al.
NATURE MATERIALS (2012)
Thermal Amorphization of Zeolitic Imidazolate Frameworks
Thomas D. Bennett et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Metal-organic complex ferroelectrics
Tian Hang et al.
CHEMICAL SOCIETY REVIEWS (2011)
Sampling the structure of calcium carbonate nanoparticles with metadynamics
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Exploring the free energy surfaces of clusters using reconnaissance metadynamics
Gareth A. Tribello et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Modular and predictable assembly of porous organic molecular crystals
James T. A. Jones et al.
NATURE (2011)
Substitutional and orientational disorder in organic crystals: a symmetry-adapted ensemble model
Matthew Habgood et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Mechanism of the order-disorder phase transition, and glassy behavior in the metal-organic framework [(CH3)2NH2]Zn(HCOO)3
Tiglet Besara et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Entropy and the driving force for the filling of carbon nanotubes with water
Tod A. Pascal et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Local Vibrational Mechanism for Negative Thermal Expansion: A Combined Neutron Scattering and First-Principles Study
Vanessa K. Peterson et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Targeting biomolecular flexibility with metadynamics
Vanessa Leone et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2010)
Thermal behavior of disordered phase of caffeine molecular crystal: Insights from Monte Carlo simulation studies
N. Arul Murugan et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Metadynamics simulations of calcite crystallization on self-assembled monolayers
D. Quigley et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Intensely Colored Mixed-Valence Iron(II) Iron(III) Formate Analogue of Prussian Blue Exhibits Neel N-Type Ferrimagnetism
Karl S. Hagen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)
First-principles calculations of the ferroelastic transition between rutile-type and CaCl2-type SiO2 at high pressures
Atsushi Togo et al.
PHYSICAL REVIEW B (2008)
Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
Alessandro Laio et al.
REPORTS ON PROGRESS IN PHYSICS (2008)
High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture
Rahul Banerjee et al.
SCIENCE (2008)
Dumbbell rattling in thermoelectric zinc antimony
W. Schweika et al.
PHYSICAL REVIEW LETTERS (2007)
Raman and infrared spectra of multiferroic bismuth ferrite from first principles
P. Hermet et al.
PHYSICAL REVIEW B (2007)
Ligand configurational entropy and protein binding
Chia-en A. Chang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Mixed-valence Li/Fe-based metal-organic frameworks with both reversible redox and sorption properties
Gerard Ferey et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Chiral magnetic metal-organic frameworks of dimetal subunits: Magnetism tuning by mixed-metal compositions of the solid solutions
Ming-Hua Zeng et al.
INORGANIC CHEMISTRY (2006)
Construction of double-stranded metallosupramolecular polymers with a controlled helicity by combination of salt bridges and metal coordination
Masato Ikeda et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Calculations of solute and solvent entropies from molecular dynamics simulations
Jens Carlsson et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Design of new materials for methane storage
T Düren et al.
LANGMUIR (2004)
Reticular synthesis and the design of new materials
OM Yaghi et al.
NATURE (2003)
Phonons and lattice dielectric properties of zirconia
XY Zhao et al.
PHYSICAL REVIEW B (2002)