Shiqiang Hao

发表

High-throughput computational design of cathode coatings for Li-ion batteries

Muratahan Aykol, Dane Morgan, Scott Kirklin, 2016, Nature Communications.

Ultrathin Lithium-Ion Conducting Coatings for Increased Interfacial Stability in High Voltage Lithium-Ion Batteries

J. Cabana, Chunjoong Kim, C. Wolverton, 2014 .

Free-standing nitrogen-doped graphene paper as electrodes for high-performance lithium/dissolved polysulfide batteries.

Kai Han, Christopher Wolverton, Shiqiang Hao, 2014, ChemSusChem.

All-inorganic halide perovskites as potential thermoelectric materials: Dynamic cation off-centering induces ultralow thermal conductivity.

G. J. Snyder, M. Kanatzidis, C. Wolverton, 2020, Journal of the American Chemical Society.

Ultralow Thermal Conductivity and High-Temperature Thermoelectric Performance in n-Type K2.5Bi8.5Se14

G. J. Snyder, M. Kanatzidis, C. Wolverton, 2019, Chemistry of Materials.

Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity

M. Kanatzidis, C. Wolverton, Jing Zhao, 2019, Chemistry of Materials.

Concerted Rattling in CsAg5 Te3 Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance.

M. Kanatzidis, C. Wolverton, C. Malliakas, 2016, Angewandte Chemie.

High Thermoelectric Performance in the New Cubic Semiconductor AgSnSbSe3 by High Entropy Engineering.

M. Kanatzidis, C. Wolverton, Q. Yan, 2020, Journal of the American Chemical Society.

Superior Oxygen Reduction Reaction on Phosphorus‐Doped Carbon Dot/Graphene Aerogel for All‐Solid‐State Flexible Al–Air Batteries

Y. Lai, Jie Li, Yexiang Liu, 2019, Advanced Energy Materials.

Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe

Ctirad Uher, Chris Wolverton, Shiqiang Hao, 2016, Nature Communications.

Enhancement of Thermoelectric Performance for n-Type PbS through Synergy of Gap State and Fermi Level Pinning.

M. Kanatzidis, C. Wolverton, C. Uher, 2019, Journal of the American Chemical Society.

High-Performance Thermoelectrics from Cellular Nanostructured Sb2Si2Te6

M. Kanatzidis, C. Wolverton, Q. Yan, 2020, Joule.

Thermoelectric Material SnPb2Bi2S6: The 4,4L Member of Lillianite Homologous Series with Low Lattice Thermal Conductivity.

C. Wolverton, Jing Zhao, Shiqiang Hao, 2018, Inorganic chemistry.

Quaternary Pavonites A 1 + x Sn 2 − x Bi 5 + x S 10 ( A + = Li + , Na + ) : Site Occupancy Disorder De fi nes Electronic Structure

M. Kanatzidis, C. Wolverton, C. Malliakas, 2018 .

n‐Type SnSe2 Oriented‐Nanoplate‐Based Pellets for High Thermoelectric Performance

M. Kanatzidis, C. Wolverton, Q. Yan, 2018 .

Hydrogen diffusion in MgH2 and NaMgH3 via concerted motions of charged defects

D. Sholl, Shiqiang Hao, 2008 .

Site-Specific Positioning and Patterning of MoS2 Monolayers: The Role of Au Seeding.

Xinqi Chen, Chris Wolverton, Jennifer G DiStefano, 2018, ACS nano.

Origin of the high performance in GeTe-based thermoelectric materials upon Bi2Te3 doping.

M. Kanatzidis, Haijun Wu, C. Wolverton, 2014, Journal of the American Chemical Society.

Ultralow Thermal Conductivity in Diamondoid Structures and High Thermoelectric Performance in (Cu1-xAgx)(In1-yGay)Te2.

G. J. Snyder, M. Kanatzidis, C. Wolverton, 2021, Journal of the American Chemical Society.

Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1−yTe2

M. Kanatzidis, C. Wolverton, C. Uher, 2020 .

High Thermoelectric Performance in the Wide Band‐Gap AgGa1‐xTe2 Compounds: Directional Negative Thermal Expansion and Intrinsically Low Thermal Conductivity

M. Kanatzidis, C. Wolverton, Qingjie Zhang, 2018, Advanced Functional Materials.

Valence Disproportionation of GeS in the PbS Matrix Forms Pb5Ge5S12 Inclusions with Conduction Band Alignment Leading to High n-Type Thermoelectric Performance.

M. Kanatzidis, C. Wolverton, C. Uher, 2022, Journal of the American Chemical Society.

Identifying the origins of high thermoelectric performance in group IIIA elements doped PbS.

Shiqiang Hao, Y. Gong, Jinsong Wu, 2020, ACS applied materials & interfaces.

Semiconducting Pavonites CdMBi4Se8 (M = Sn and Pb) and Their Thermoelectric Properties

M. Kanatzidis, C. Wolverton, X. Su, 2017 .

High Thermoelectric Performance in Electron-Doped AgBi3S5 with Ultralow Thermal Conductivity.

Jing Zhao, M. Kanatzidis, C. Wolverton, 2017, Journal of the American Chemical Society.

High thermoelectric performance via hierarchical compositionally alloyed nanostructures.

Hao Li, Ctirad Uher, Kanishka Biswas, 2013, Journal of the American Chemical Society.

All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance

M. Kanatzidis, Haijun Wu, C. Wolverton, 2013 .

Thermoelectric Performance of the 2D Bi2Si2Te6 Semiconductor.

M. Kanatzidis, C. Wolverton, Q. Yan, 2022, Journal of the American Chemical Society.

First-principles calculations and experimental studies of: XYZ 2 thermoelectric compounds: Detailed analysis of van der Waals interactions

G. J. Snyder, Anubhav Jain, G. Hautier, 2018 .

All-Scale Hierarchically Structured p-Type PbSe Alloys with High Thermoelectric Performance Enabled by Improved Band Degeneracy.

M. Kanatzidis, C. Wolverton, C. Uher, 2019, Journal of the American Chemical Society.

Large thermal conductivity drops in the diamondoid lattice of CuFeS2 by discordant atom doping.

M. Kanatzidis, C. Wolverton, X. Su, 2019, Journal of the American Chemical Society.

Ni and Se co-doping increases the power factor and thermoelectric performance of CoSbS

M. Kanatzidis, C. Wolverton, X. Su, 2018 .

Dramatically reduced lattice thermal conductivity of Mg2Si thermoelectric material from nanotwinning

G. J. Snyder, W. Goddard, Qingjie Zhang, 2019, Acta Materialia.

Research Update: Prediction of high figure of merit plateau in SnS and solid solution of (Pb,Sn)S

M. Kanatzidis, C. Wolverton, V. Dravid, 2016 .

Ultralow Thermal Conductivity and Thermoelectric Properties of Rb2Bi8Se13

M. Kanatzidis, C. Wolverton, X. Su, 2020, Chemistry of Materials.

Morphological Engineering of Winged Au@MoS2 Heterostructures for Electrocatalytic Hydrogen Evolution.

Akshay A. Murthy, M. Wasielewski, M. Kanatzidis, 2018, Nano letters.

Au@MoS2 Core-Shell Heterostructures with Strong Light-Matter Interactions.

Akshay A. Murthy, C. Wolverton, Xinqi Chen, 2016, Nano letters.

Optical phonon dominated heat transport: A first-principles thermal conductivity study of BaSnS2

M. Kanatzidis, C. Wolverton, X. Su, 2021, Physical Review B.

Probing Strain-Induced Band Gap Modulation in 2D Hybrid Organic–Inorganic Perovskites

M. Kanatzidis, C. Wolverton, V. Dravid, 2019, ACS Energy Letters.

Out-of-Plane Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites by Nanoindentation.

M. Kanatzidis, C. Wolverton, V. Dravid, 2018, ACS applied materials & interfaces.

High thermoelectric performance in Bi0.46Sb1.54Te3 nanostructured with ZnTe

M. Kanatzidis, C. Wolverton, X. Su, 2018 .

Structure and Curie temperature of Y2Fe17−xCrx

Shiqiang Hao, Nanxian Chen, 2003 .

Phase stability and site preference of Nd2Fe17−xTx (TV, Ti, Nb) and Nd2−xZrxFe17

Shiqiang Hao, Jiang Shen, N. Chen, 2002 .

Atomistic study of rare-earth compounds R2Fe17 (R=Y, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Lu) and Nd2Fe17Nx

Shiqiang Hao, Jiang Shen, N. Chen, 2002 .

The Space Group of Nd3Fe29-xTix: A2/m or P21/c

Shiqiang Hao, Jiang Shen, N. Chen, 2002 .

Inducing Strong Valence Band Convergence to Enhance Thermoelectric Performance in PbSe with Two Chemically Independent Knobs.

M. Kanatzidis, C. Wolverton, C. Uher, 2020, Angewandte Chemie.

Strong Valence Band Convergence to Enhance Thermoelectric Performance in PbSe with Two Chemically Independent Controls

M. Kanatzidis, C. Wolverton, C. Uher, 2020, Angewandte Chemie.

Design Strategy for High-Performance Thermoelectric Materials: The Prediction of Electron-Doped KZrCuSe3

Logan T. Ward, M. Kanatzidis, V. Ozoliņš, 2019, Chemistry of Materials.

Computational Prediction of High Thermoelectric Performance in Hole Doped Layered GeSe

M. Kanatzidis, C. Wolverton, V. Dravid, 2016 .

Lead-Free Broadband Orange-Emitting Zero-Dimensional Hybrid (PMA)3InBr6 with Direct Band Gap.

C. Wolverton, J. Zhao, Shiqiang Hao, 2019, Inorganic chemistry.

Lithium transport through lithium-ion battery cathode coatings

D. Morgan, C. Wolverton, M. Mahanthappa, 2015, 1607.02125.

Antimony doping to enhance luminescence of tin(iv)-based hybrid metal halides

C. Wolverton, Shiqiang Hao, Zhongnan Guo, 2022, Inorganic Chemistry Frontiers.

Raspberry-like mesoporous Co-doped TiO2 nanospheres for a high-performance formaldehyde gas sensor

C. Wolverton, V. Dravid, T. Zhai, 2021, Journal of Materials Chemistry A.

Enhanced Density-of-States Effective Mass and Strained Endotaxial Nanostructures in Sb-Doped Pb0.97Cd0.03Te Thermoelectric Alloys.

M. Kanatzidis, C. Wolverton, X. Su, 2019, ACS applied materials & interfaces.

Chemical Insights into PbSe- x%HgSe: High Power Factor and Improved Thermoelectric Performance by Alloying with Discordant Atoms.

M. Kanatzidis, C. Wolverton, C. Uher, 2018, Journal of the American Chemical Society.

High Thermoelectric Performance in Chalcopyrite Cu1-xAgxGaTe2-ZnTe: Nontrivial Band Structure and Dynamic Doping Effect.

G. J. Snyder, M. Kanatzidis, C. Wolverton, 2022, Journal of the American Chemical Society.

Origin of intrinsically low thermal conductivity in talnakhite Cu17.6Fe17.6S32 thermoelectric material: correlations between lattice dynamics and thermal transport.

M. Kanatzidis, C. Wolverton, A. Douvalis, 2019, Journal of the American Chemical Society.

Weak Electron Phonon Coupling and Deep Level Impurity for High Thermoelectric Performance Pb1−xGaxTe

M. Kanatzidis, C. Wolverton, Qingjie Zhang, 2018 .

Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe.

M. Kanatzidis, C. Wolverton, C. Uher, 2015, Journal of the American Chemical Society.

The interstitial CiOi defect in bulk Si and Si1−xGex

L. Kantorovich, Shiqiang Hao, G. Davies, 2004 .

p-Type Co Interstitial Defects in Thermoelectric Skutterudite CoSb3 Due to the Breakage of Sb4-Rings

G. J. Snyder, W. Goddard, Qingjie Zhang, 2016 .

Quaternary phase diagrams of spinel Li y □ 1 − y Mn x Ni 2 − x O 4 and composite cathode voltages for concentration gradient materials

C. Wolverton, Zhi Lu, Shiqiang Hao, 2016 .

Absence of Nanostructuring in NaPb mSbTe m+2: Solid Solutions with High Thermoelectric Performance in the Intermediate Temperature Regime.

M. Kanatzidis, C. Wolverton, C. Uher, 2018, Journal of the American Chemical Society.

Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance.

M. Kanatzidis, C. Wolverton, X. Su, 2018, Journal of the American Chemical Society.

AInSn2S6 (A = K, Rb, Cs)─Layered Semiconductors Based on the SnS2 Structure.

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2022, Inorganic chemistry.

Comparison of first principles calculations and experiments for hydrogen permeation through amorphous ZrNi and ZrNiNb films

D. Sholl, Shiqiang Hao, 2010 .

Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2021 .

Grain Boundaries Softening Thermoelectric Oxide BiCuSeO.

G. J. Snyder, W. Goddard, Qingjie Zhang, 2018, ACS applied materials & interfaces.

Structure and Failure Mechanism of the Thermoelectric CoSb3/TiCoSb Interface.

G. J. Snyder, W. Goddard, Qingjie Zhang, 2016, ACS applied materials & interfaces.

Out-of-Plane Mechanical Properties of 2D Hybrid Organic-Inorganic Perovskites by Nanoindentation.

M. Kanatzidis, C. Wolverton, V. Dravid, 2018, ACS applied materials & interfaces.

Soft phonon modes from off-center Ge atoms lead to ultralow thermal conductivity and superior thermoelectric performance in n-type PbSe–GeSe

M. Kanatzidis, C. Wolverton, C. Uher, 2018 .

Ultrahigh power factor and thermoelectric performance in hole-doped single-crystal SnSe

Heng Wang, Yanling Pei, Vinayak P. Dravid, 2016, Science.

Weak Electron–Phonon Coupling and Enhanced Thermoelectric Performance in n‐type PbTe–Cu2Se via Dynamic Phase Conversion

M. Kanatzidis, C. Wolverton, C. Uher, 2022, Advanced Energy Materials.

Valence Band Modification and High Thermoelectric Performance in SnTe Heavily Alloyed with MnTe.

M. Kanatzidis, C. Wolverton, C. Uher, 2015 .

High Thermoelectric Performance in SnTe–AgSbTe2 Alloys from Lattice Softening, Giant Phonon–Vacancy Scattering, and Valence Band Convergence

G. J. Snyder, M. Kanatzidis, C. Wolverton, 2018 .

Codoping in SnTe: Enhancement of Thermoelectric Performance through Synergy of Resonance Levels and Band Convergence.

M. Kanatzidis, C. Wolverton, C. Uher, 2015, Journal of the American Chemical Society.

Systematic Study of Oxygen Vacancy Tunable Transport Properties of Few‐Layer MoO3−x Enabled by Vapor‐Based Synthesis

C. Wolverton, V. Dravid, Shiqiang Hao, 2017 .

Probing hydrogen interactions with amorphous metals using first-principles calculations

D. Sholl, Shiqiang Hao, M. Widom, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Computational prediction of durable amorphous metal membranes for H 2 purification

D. Sholl, Shiqiang Hao, 2011 .

Self-diffusion and macroscopic diffusion of hydrogen in amorphous metals from first-principles calculations.

D. Sholl, Shiqiang Hao, 2009, The Journal of chemical physics.

Using first-principles calculations to accelerate materials discovery for hydrogen purification membranes by modeling amorphous metals

David S. Sholl, Shiqiang Hao, D. Sholl, 2008 .

Selection of Surface Coatings for High H2 Permeability Group 5 Metal Membranes Using First-Principles Calculations

D. Sholl, Shiqiang Hao, Rongshu Zhu, 2015 .

Rapid prediction of hydrogen permeation through amorphous metal membranes: an efficient computational screening approach

D. Sholl, Shiqiang Hao, 2013 .

Using First-principles Models to Advance Development of Metal Membranes for High Temperature Hydrogen Purification

D. Sholl, Shiqiang Hao, S. Kang, 2011 .

Photoluminescent Properties of Two-Dimensional Manganese(II)-Based Perovskites with Different-Length Arylamine Cations.

C. Wolverton, Shiqiang Hao, Zhongnan Guo, 2022, Inorganic chemistry.

Atomistic study on the structure and Curie temperature

Shiqiang Hao, Jiang Shen, N. Chen, 2002 .

Vast Structural and Polymorphic Varieties of Semiconductors AMM′Q4 (A = K, Rb, Cs, Tl; M = Ga, In; M′ = Ge, Sn; Q = S, Se)

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2021, Chemistry of Materials.

Layered and Cubic Semiconductors AGaM'Q4 (A+ = K+, Rb+, Cs+, Tl+; M'4+ = Ge4+, Sn4+; Q2- = S2-, Se2-) and High Third-Harmonic Generation.

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2020, Journal of the American Chemical Society.

In4Pb5.5Sb5S19: A Stable Quaternary Chalcogenide with Low Thermal Conductivity.

C. Wolverton, Shiqiang Hao, Yonggang Wang, 2020, Inorganic chemistry.

Crystal structure and luminescence properties of lead-free metal halides (C6H5CH2NH3)3MBr6 (M = Bi and Sb)

C. Wolverton, Shiqiang Hao, Z. Xia, 2020, Journal of Materials Chemistry C.

Quaternary Chalcogenide Semiconductors with 2D Structures: Rb2ZnBi2Se5 and Cs6Cd2Bi8Te17.

M. Kanatzidis, C. Wolverton, Jing Zhao, 2018, Inorganic chemistry.

Homologous Series of 2D Chalcogenides Cs-Ag-Bi-Q (Q = S, Se) with Ion-Exchange Properties.

M. Kanatzidis, C. Wolverton, J. Zhao, 2017, Journal of the American Chemical Society.

The New Semiconductor Cs4Cu3Bi9S17

C. Wolverton, Shiqiang Hao, S. Islam, 2017 .

Raising the thermoelectric performance of p-type PbS with endotaxial nanostructuring and valence-band offset engineering using CdS and ZnS.

Timothy P. Hogan, Vinayak P. Dravid, Mercouri G. Kanatzidis, 2012, Journal of the American Chemical Society.

Topology of transition metal dichalcogenides: the case of the core-shell architecture.

Chris Wolverton, Jennifer G DiStefano, Akshay A Murthy, 2020, Nanoscale.

Superhard nitride-based nanocomposites: role of interfaces and effect of impurities.

B. Delley, C. Stampfl, Shiqiang Hao, 2006, Physical review letters.

First-Principles Models of Facilitating H2 Transport through Metal Films Using Spillover

D. Sholl, Shiqiang Hao, 2013 .

DFT characterization of adsorption and diffusion mechanisms of H, As, S, and Se on the zinc orthotitanate(010) surface

Rees B Rankin, D. Sholl, Shiqiang Hao, 2008 .

Atomistic simulation on the phase stability, site preference and lattice parameters for Nd(Fe,T)12 with Nd(Fe,Ti)12Nx

Shiqiang Hao, N. Chen, 2002 .

Bi2PdO4: A Promising Thermoelectric Oxide with High Power Factor and Low Lattice Thermal Conductivity

V. Ozoliņš, C. Wolverton, Shiqiang Hao, 2017 .

Discordant nature of Cd in GeTe enhances phonon scattering and improves band convergence for high thermoelectric performance

M. Kanatzidis, C. Wolverton, X. Su, 2020 .

Lithium Thiostannate Spinels: Air-Stable Cubic Semiconductors

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2021 .

The role of interstitial H2 in hydrogen diffusion in light metal borohydrides.

D. Sholl, Shiqiang Hao, 2009, Physical chemistry chemical physics : PCCP.

Ion Beam Induced Artifacts in Lead-Based Chalcogenides

M. Kanatzidis, C. Wolverton, V. Dravid, 2019, Microscopy and Microanalysis.

Intermediate phases in sodium intercalation into MoS2 nanosheets and their implications for sodium-ion batteries

C. Wolverton, V. Dravid, S. Mitra, 2017 .

Theoretical prediction and experimental confirmation of unusual ternary ordered semiconductor compounds in Sr-Pb-S system.

Christopher M Wolverton, Shiqiang Hao, Mercouri G Kanatzidis, 2014, Journal of the American Chemical Society.

Concerted diffusion, clustering, and magnetic properties of Mn dopants on a 2 x 2-T4 GaN(0001) substrate.

Zhenyu Zhang, Shiqiang Hao, 2007, Physical review letters.

Large‐Scale Fabrication of MoS2 Ribbons and Their Light‐Induced Electronic/Thermal Properties: Dichotomies in the Structural and Defect Engineering

C. Wolverton, Xinqi Chen, V. Dravid, 2018 .

Decreasing Structural Dimensionality of Double Perovskites for Phase Stabilization toward Efficient X-ray Detection.

Guangda Niu, C. Wolverton, Shiqiang Hao, 2021, ACS applied materials & interfaces.

Broad Photoluminescence and Second-Harmonic Generation in the Noncentrosymmetric Organic–Inorganic Hybrid Halide (C6H5(CH2)4NH3)4MX7·H2O (M = Bi, In, X = Br or I)

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2021, Chemistry of Materials.

Synergistic Defect- and Interfacial-Engineering of Bi2S3-Based Nanoplate Network for High-Performance Photoelectrochemical Solar Water Splitting

Y. Lai, C. Wolverton, Jie Li, 2022, Journal of Materials Chemistry A.

Weak-Bonding Elements Lead to High Thermoelectric Performance in BaSnS3 and SrSnS3: A First-Principles Study

M. Kanatzidis, C. Wolverton, Shiqiang Hao, 2022, Chemistry of Materials.

Ultralow Thermal Conductivity in Full Heusler Semiconductors.

Stefan Goedecker, Maximilian Amsler, Chris Wolverton, 2016, Physical review letters.

Computational strategies for design and discovery of nanostructured thermoelectrics

M. Kanatzidis, C. Wolverton, V. Dravid, 2019, npj Computational Materials.

Discordant nature of Cd in PbSe: off-centering and core–shell nanoscale CdSe precipitates lead to high thermoelectric performance

M. Kanatzidis, C. Wolverton, C. Uher, 2020 .

Unraveling the Role of Entropy in Thermoelectrics: Entropy-Stabilized Quintuple Rock Salt PbGeSnCdxTe3+x.

G. J. Snyder, Stephanie M. Ribet, M. Kanatzidis, 2023, Journal of the American Chemical Society.

Extraordinary role of Zn in enhancing thermoelectric performance of Ga-doped n-type PbTe

M. Kanatzidis, C. Wolverton, C. Uher, 2022, Energy & Environmental Science.

Dual Alloying Strategy to Achieve a High Thermoelectric Figure of Merit and Lattice Hardening in p-Type Nanostructured PbTe

M. Kanatzidis, C. Wolverton, C. Uher, 2018, ACS Energy Letters.

Direct Visualization of Electric Field induced Structural Dynamics in Monolayer Transition Metal Dichalcogenides.

C. Wolverton, V. Dravid, Shiqiang Hao, 2019, ACS nano.

Nanoparticle@MoS2 Core–Shell Architecture: Role of the Core Material

C. Wolverton, V. Dravid, Shiqiang Hao, 2018, Chemistry of Materials.

In-situ Electron Diffraction Studies of Sodium Electrochemistry in MoS2

C. Wolverton, V. Dravid, S. Mitra, 2017, Microscopy and Microanalysis.

Comparative theoretical study of H 2 Se adsorption and dissociation on ZnO ( 10 1 ¯ 0 ) , TiO 2 ( 110 ) , and Zn 2 TiO 4 ( 010 )

Shiqiang Hao, 2010 .

Host isotope effects on midinfrared optical transitions in silicon

K. Itoh, S. Estreicher, Shiqiang Hao, 2005 .

Quasilinear dispersion in electronic band structure and high Seebeck coefficient in CuFeS2 -based thermoelectric materials

M. Kanatzidis, C. Wolverton, X. Su, 2020 .

Phase engineering and optical properties of 2D MoSe2: Promise and pitfalls

T. Meade, K. Aydin, C. Wolverton, 2019, Materials Chemistry and Physics.

Lithium Transport in Amorphous Al2O3 and AlF3 for Discovery of Battery Coatings

C. Wolverton, Shiqiang Hao, 2013 .

Efficient Solar Spectrum‐Like White‐Light Emission in Zinc‐Based Zero‐Dimensional Hybrid Metal Halides

C. Wolverton, Shiqiang Hao, Quanlin Liu, 2023, Advanced Optical Materials.

Pressure induced thermoelectric enhancement in SnSe crystals

Yongsheng Zhang, C. Wolverton, Shiqiang Hao, 2016 .

Implications of doping on microstructure, processing, and thermoelectric performance: The case of PbSe

M. Kanatzidis, C. Wolverton, V. Dravid, 2021, Journal of Materials Research.

Organic Dye Graphene Hybrid Structures with Spectral Color Selectivity

C. Wolverton, J. Cho, Moon-Sung Kang, 2016 .

Interstitial oxygen in Si and Si1-xGex.

L. Kantorovich, Shiqiang Hao, G. Davies, 2004 .

Lattice isotope effects on the widths of optical transitions in silicon

K. Itoh, S. Estreicher, Shiqiang Hao, 2005 .

High figure of merit in Ga doped nanostructured n-type PbTe-xGeTe with midgap states.

M. Kanatzidis, C. Wolverton, X. Su, 2019, Journal of the American Chemical Society.

t through lithium-ion battery cathode coatings

D. Morgan, M. Mahanthappa, R. Jacobs, 2015 .

Role of oxygen in TiN(111)/Si{sub x}N{sub y}/TiN(111) interfaces: Implications for superhard nanocrystalline nc-TiN/a-Si{sub 3}N{sub 4} nanocomposites

B. Delley, C. Stampfl, Shiqiang Hao, 2006 .

Structure and properties of TiN (111 ) /SixNy /TiN (111) interfaces in superhard nanocomposites: First-principles investigations

B. Delley, C. Stampfl, Shiqiang Hao, 2006 .

Temperature dependence of the Mn incorporation model on reconstructed P-rich GaP(001)

Shiqiang Hao, 2008 .

First-principles study of vibrational entropy effects on the PbTe-SrTe phase diagram

C. Wolverton, Shiqiang Hao, X. Hua, 2018, Physical Review Materials.

First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry.

C. Wolverton, M. Amsler, V. Hegde, 2018, ACS applied materials & interfaces.

Quaternary Pavonites A1+xSn2-xBi5+xS10 (A+ = Li+, Na+): Site Occupancy Disorder Defines Electronic Structure.

G. J. Snyder, M. Kanatzidis, C. Wolverton, 2018, Inorganic chemistry.

Surface reactions of AsH3, H2Se, and H2S on the Zn2TiO4(010) surface

Rees B Rankin, D. Sholl, Shiqiang Hao, 2011 .

Dissociation of GaSb in n-Type PbTe: off-Centered Gallium Atom and Weak Electron–Phonon Coupling Provide High Thermoelectric Performance

M. Kanatzidis, C. Wolverton, C. Uher, 2021 .

Intrinsic Transport in 2D Heterostructures Mediated through h-BN Tunneling Contacts.

Kenji Watanabe, T. Taniguchi, C. Wolverton, 2018, Nano letters.

Computational prediction of nanostructured alloys with enhanced thermoelectric properties

S. Kirklin, C. Wolverton, J. Doak, 2019, Physical Review Materials.

MoS2-capped CuxS nanocrystals: a new heterostructured geometry of transition metal dichalcogenides for broadband optoelectronics

C. Wolverton, Xinqi Chen, V. Dravid, 2019, Materials Horizons.

Evaporative thinning: a facile synthesis method for high quality ultrathin layers of 2D crystals.

M. Kanatzidis, C. Wolverton, V. Dravid, 2014, ACS nano.

Dimensionally driven crossover from semimetal to direct semiconductor in layered SbAs

M. Kanatzidis, C. Wolverton, V. Dravid, 2019, Physical Review Materials.

Effect of TiH2–Induced Strain on Thermodynamics of Hydrogen Release from MgH2

D. Sholl, Shiqiang Hao, 2012 .

Structure Tuning, Strong Second Harmonic Generation Response, and High Optical Stability of the Polar Semiconductors Na1-xKxAsQ2.

V. Gopalan, M. Kanatzidis, C. Wolverton, 2021, Journal of the American Chemical Society.

High-throughput computational design of cathode coatings for Li-ion batteries

Muratahan Aykol, D. Morgan, S. Kirklin, 2016, Nature Communications.

Predictions of H isotope separation using crystalline and amorphous metal membranes: A computational approach

D. Sholl, Shiqiang Hao, Lymarie Semidey-Flecha, 2009 .

Evaporative thinning: a facile synthesis method for high quality ultrathin layers of 2D crystals.

M. Kanatzidis, C. Wolverton, V. Dravid, 2014, ACS nano.

High thermoelectric performance via hierarchical compositionally alloyed nanostructures.

M. Kanatzidis, C. Wolverton, C. Uher, 2013, Journal of the American Chemical Society.

Role of Schottky Defects in Hydrogen and Metal Diffusion in NaH, MgH2, and NaMgH3

D. Sholl, Shiqiang Hao, 2010 .

Concerted Rattling in CsAg5 Te3 Leading to Ultralow Thermal Conductivity and High Thermoelectric Performance.

M. Kanatzidis, C. Wolverton, C. Malliakas, 2016, Angewandte Chemie.

Computational Design of High-Entropy Rare Earth Disilicates as Next-Generation Thermal/Environmental Barrier Coatings

Shiqiang Hao, M. Gao, Ö. Doğan, 2023, Acta Materialia.

The TiAl channel mechanism for enhanced (de)hydrogenation kinetics in Mg-based films

Shiqiang Hao, 2010 .

Selection of dopants to enhance hydrogen diffusion rates in MgH2 and NaMgH3

D. Sholl, Shiqiang Hao, 2009 .