Published in Phys Rev B Condens Matter on December 15, 1994
Simultaneous phase and size control of upconversion nanocrystals through lanthanide doping. Nature (2010) 3.53
Ionic high-pressure form of elemental boron. Nature (2009) 3.38
Transparent dense sodium. Nature (2009) 3.12
High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus. Nat Commun (2014) 2.72
A strong ferroelectric ferromagnet created by means of spin-lattice coupling. Nature (2010) 2.63
Thermal and electrical conductivity of iron at Earth's core conditions. Nature (2012) 2.39
Direct observation of local atomic order in a metallic glass. Nat Mater (2010) 2.39
High-entropy alloys with high saturation magnetization, electrical resistivity, and malleability. Sci Rep (2013) 2.18
Topological crystalline insulators in the SnTe material class. Nat Commun (2012) 2.15
A metal-free organic-inorganic aqueous flow battery. Nature (2014) 2.06
Electron-pinned defect-dipoles for high-performance colossal permittivity materials. Nat Mater (2013) 2.05
Deterministic switching of ferromagnetism at room temperature using an electric field. Nature (2014) 1.98
Electrical resistivity and thermal conductivity of liquid Fe alloys at high P and T, and heat flux in Earth's core. Proc Natl Acad Sci U S A (2012) 1.98
Identification and design principles of low hole effective mass p-type transparent conducting oxides. Nat Commun (2013) 1.87
Enhanced catalytic activity in strained chemically exfoliated WS₂ nanosheets for hydrogen evolution. Nat Mater (2013) 1.84
A novel phosphor for glareless white light-emitting diodes. Nat Commun (2012) 1.81
Formation of monatomic metallic glasses through ultrafast liquid quenching. Nature (2014) 1.79
Modelling the rheology of MgO under Earth's mantle pressure, temperature and strain rates. Nature (2012) 1.68
A unified view of ligand-protected gold clusters as superatom complexes. Proc Natl Acad Sci U S A (2008) 1.62
Enhancement of ferroelectricity at metal-oxide interfaces. Nat Mater (2009) 1.62
Water electrolysis on La1-xSrxCoO3-δ perovskite electrocatalysts. Nat Commun (2016) 1.55
Highly monodisperse core-shell particles created by solid-state reactions. Nat Mater (2011) 1.51
Ab initio molecular dynamics calculations of ion hydration free energies. J Chem Phys (2009) 1.50
A little bit of lithium does a lot for hydrogen. Proc Natl Acad Sci U S A (2009) 1.49
Optimization of ionic conductivity in doped ceria. Proc Natl Acad Sci U S A (2006) 1.46
Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged, and free excitons. Sci Rep (2013) 1.46
A multiferroic material to search for the permanent electric dipole moment of the electron. Nat Mater (2010) 1.45
Design principles for solid-state lithium superionic conductors. Nat Mater (2015) 1.42
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks. Nature (2015) 1.41
Direct atomic-scale confirmation of three-phase storage mechanism in Li₄Ti₅O₁₂ anodes for room-temperature sodium-ion batteries. Nat Commun (2013) 1.41
Orbital reflectometry of oxide heterostructures. Nat Mater (2011) 1.38
Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons. Nature (2014) 1.35
In situ atomic-scale observation of continuous and reversible lattice deformation beyond the elastic limit. Nat Commun (2013) 1.34
A search model for topological insulators with high-throughput robustness descriptors. Nat Mater (2012) 1.33
Anion control as a strategy to achieve high-mobility and high-stability oxide thin-film transistors. Sci Rep (2013) 1.32
Superconductive sodalite-like clathrate calcium hydride at high pressures. Proc Natl Acad Sci U S A (2012) 1.31
Nonlinear lattice dynamics as a basis for enhanced superconductivity in YBa2Cu3O6.5. Nature (2014) 1.29
Exploring atomic defects in molybdenum disulphide monolayers. Nat Commun (2015) 1.26
Deterministic conversion between memory and threshold resistive switching via tuning the strong electron correlation. Sci Rep (2012) 1.24
Structural transitions in ion coordination driven by changes in competition for ligand binding. J Am Chem Soc (2008) 1.22
Heterojunctions between metals and carbon nanotubes as ultimate nanocontacts. Proc Natl Acad Sci U S A (2009) 1.21
A 3.8-V earth-abundant sodium battery electrode. Nat Commun (2014) 1.21
Crystal structures and dynamical properties of dense CO2. Proc Natl Acad Sci U S A (2016) 1.20
Pressure-induced superconductivity in CaC2. Proc Natl Acad Sci U S A (2013) 1.17
Penta-graphene: A new carbon allotrope. Proc Natl Acad Sci U S A (2015) 1.17
Thermal expansion anomaly regulated by entropy. Sci Rep (2014) 1.16
Charge-transfer-induced structural rearrangements at both sides of organic/metal interfaces. Nat Chem (2010) 1.16
A theoretical study of aqueous solvation of K comparing ab initio, polarizable, and fixed-charge models. J Chem Theory Comput (2007) 1.13
Accelerating materials property predictions using machine learning. Sci Rep (2013) 1.12
Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation. Sci Rep (2014) 1.12
High pressure partially ionic phase of water ice. Nat Commun (2011) 1.10
Charge-order fluctuations in one-dimensional silicides. Nat Mater (2008) 1.10
Substrate-mediated band-dispersion of adsorbate molecular states. Nat Commun (2013) 1.09
Prediction of an arc-tunable Weyl Fermion metallic state in MoxW1-xTe2. Nat Commun (2016) 1.09
Manageable N-doped graphene for high performance oxygen reduction reaction. Sci Rep (2013) 1.09
Massive interfacial reconstruction at misfit dislocations in metal/oxide interfaces. Sci Rep (2014) 1.08
High-pressure crystal structures and superconductivity of Stannane (SnH4). Proc Natl Acad Sci U S A (2010) 1.08
Caesium in high oxidation states and as a p-block element. Nat Chem (2013) 1.07
A stable compound of helium and sodium at high pressure. Nat Chem (2017) 1.07
Crystal structure of the pressure-induced metallic phase of SiH4 from ab initio theory. Proc Natl Acad Sci U S A (2008) 1.06
Krypton oxides under pressure. Sci Rep (2016) 1.06
Polar metals by geometric design. Nature (2016) 1.06
Topological transport and atomic tunnelling-clustering dynamics for aged Cu-doped Bi2Te3 crystals. Nat Commun (2014) 1.05
Stability of xenon oxides at high pressures. Nat Chem (2012) 1.05
Chemical structures of hydrazine-treated graphene oxide and generation of aromatic nitrogen doping. Nat Commun (2012) 1.04
Atom-specific spin mapping and buried topological states in a homologous series of topological insulators. Nat Commun (2012) 1.04
Hydration and mobility of HO-(aq). Proc Natl Acad Sci U S A (2004) 1.04
First-principles calculations, experimental study, and thermodynamic modeling of the Al-Co-Cr system. PLoS One (2015) 1.04
Cobalt carbide nanoprisms for direct production of lower olefins from syngas. Nature (2016) 1.04
Determination of band alignment in the single-layer MoS2/WSe2 heterojunction. Nat Commun (2015) 1.04
Materials Prediction via Classification Learning. Sci Rep (2015) 1.03
Two-dimensional ordering of solute nanoclusters at a close-packed stacking fault: modeling and experimental analysis. Sci Rep (2014) 1.03
A canonical stability-elasticity relationship verified for one million face-centred-cubic structures. Nature (2012) 1.03
On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets. Sci Rep (2014) 1.03
Initial geometries, interaction mechanism and high stability of silicene on Ag(111) surface. Sci Rep (2012) 1.03
Metallization of vanadium dioxide driven by large phonon entropy. Nature (2014) 1.02
Biodegradability engineering of biodegradable Mg alloys: tailoring the electrochemical properties and microstructure of constituent phases. Sci Rep (2013) 1.01
Exotic behavior and crystal structures of calcium under pressure. Proc Natl Acad Sci U S A (2010) 1.01
Anisotropic two-dimensional electron gas at the LaAlO₃/SrTiO₃ (110) interface. Nat Commun (2013) 1.01
Quantum anomalous Hall and quantum spin-Hall phases in flattened Bi and Sb bilayers. Sci Rep (2015) 1.01
New carbon allotropes with helical chains of complementary chirality connected by ethene-type π-conjugation. Sci Rep (2013) 1.01
Nickel supported on nitrogen-doped carbon nanotubes as hydrogen oxidation reaction catalyst in alkaline electrolyte. Nat Commun (2016) 1.01
New high T(c) multiferroics KBiFe₂O₅ with narrow band gap and promising photovoltaic effect. Sci Rep (2013) 1.00
Stability of numerous novel potassium chlorides at high pressure. Sci Rep (2016) 0.99
Ultrafast phase-change logic device driven by melting processes. Proc Natl Acad Sci U S A (2014) 0.99
Common electronic origin of superconductivity in (Li,Fe)OHFeSe bulk superconductor and single-layer FeSe/SrTiO3 films. Nat Commun (2016) 0.98
Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters. Nat Chem (2010) 0.98
One order of magnitude faster phase change at reduced power in Ti-Sb-Te. Nat Commun (2014) 0.98
Impact of lattice distortion and electron doping on α-MoO3 electronic structure. Sci Rep (2014) 0.98
Artificial chemical and magnetic structure at the domain walls of an epitaxial oxide. Nature (2014) 0.98
High pressure ices. Proc Natl Acad Sci U S A (2011) 0.98
Efficient hydrogen evolution catalysis using ternary pyrite-type cobalt phosphosulphide. Nat Mater (2015) 0.98
Large-Area Epitaxial Monolayer MoS2. ACS Nano (2015) 0.96
Prediction of incommensurate crystal structure in Ca at high pressure. Proc Natl Acad Sci U S A (2008) 0.96
Switchable S = 1/2 and J = 1/2 Rashba bands in ferroelectric halide perovskites. Proc Natl Acad Sci U S A (2014) 0.96
Easily doped p-type, low hole effective mass, transparent oxides. Sci Rep (2016) 0.95
Structural domain walls in polar hexagonal manganites. Nat Commun (2013) 0.95
Tracking lithium transport and electrochemical reactions in nanoparticles. Nat Commun (2012) 0.95
Homo-coupling of terminal alkynes on a noble metal surface. Nat Commun (2012) 0.94
Charting the complete elastic properties of inorganic crystalline compounds. Sci Data (2015) 0.94
Improved tetrahedron method for Brillouin-zone integrations. Phys Rev B Condens Matter (1994) 2.20
Native defects and self-compensation in ZnSe. Phys Rev B Condens Matter (1992) 1.01
Adsorption and scanning-tunneling-microscope imaging of benzene on graphite and MoS2. Phys Rev Lett (1993) 0.92
Adiabaticity in first-principles molecular dynamics. Phys Rev B Condens Matter (1992) 0.85
First-principles calculations of hyperfine parameters. Phys Rev B Condens Matter (1993) 0.84
First-principles calculations of self-diffusion constants in silicon. Phys Rev Lett (1993) 0.79