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2019
1 Citation (Scopus)

Computational modeling of grain boundary electrostatic effect in polycrystalline SrTiO 3 thin film

Cao, Y., Wang, J. & Chen, L., Jul 1 2019, In : Journal of the American Ceramic Society. 102, 7, p. 4136-4151 16 p.

Research output: Contribution to journalArticle

Electrostatics
Grain boundaries
Leakage currents
Thin films
Oxygen vacancies
1 Citation (Scopus)

Computational study of cobalt-modified nickel-ferrite/PZT magnetoelectric composites for voltage tunable inductor applications

Geng, L. D., Yan, Y., Priya, S. & Wang, Y. U., Mar 1 2019, In : Acta Materialia. 166, p. 493-502 10 p.

Research output: Contribution to journalArticle

Cobalt
Magnetocrystalline anisotropy
Ferrite
Nickel
Composite materials

Computer simulation of thermodynamic factors in Ni-Al and Cu-Ag liquid alloys

Belova, I. V., Ahmed, T., Sarder, U., Yi Wang, W., Kozubski, R., Liu, Z., Holland-Moritz, D., Meyer, A. & Murch, G. E., Aug 1 2019, In : Computational Materials Science. 166, p. 124-135 12 p.

Research output: Contribution to journalArticle

liquid alloys
Structure Factor
Thermodynamics
Computer Simulation
computerized simulation

Conditions for void formation in friction stir welding from machine learning

Du, Y., Mukherjee, T. & Debroy, T., Dec 1 2019, In : npj Computational Materials. 5, 1, 68.

Research output: Contribution to journalArticle

Open Access
Friction Stir Welding
Friction stir welding
Voids
Learning systems
Machine Learning

Conductive triethylene glycol monomethyl ether substituted polythiophenes with high stability in the doped state

Dissanayake, D. S., Gunathilake, S. S., Udamulle Gedara, C. M., Du, J., Yoo, S. H., Lee, Y., Wang, Q., Gomez, E. D., Biewer, M. C. & Stefan, M. C., May 15 2019, In : Journal of Polymer Science, Part A: Polymer Chemistry. 57, 10, p. 1079-1086 8 p.

Research output: Contribution to journalArticle

Glycols
Ether
Ethers
Polymers
Iodine
2 Citations (Scopus)

Conductivity of iron-doped strontium titanate in the quenched and degraded states

Long, D. M., Cai, B., Baker, J. N., Bowes, P. C., Bayer, T. J. M., Wang, J., Wang, R., Chen, L., Randall, C. A., Irving, D. L. & Dickey, E. C., Jun 1 2019, In : Journal of the American Ceramic Society. 102, 6, p. 3567-3577 11 p.

Research output: Contribution to journalArticle

Strontium
Iron
Activation energy
Ionic conduction
Point defects
3 Citations (Scopus)

Conformational Domain Wall Switch

Sharma, P., Sando, D., Zhang, Q., Cheng, X., Prosandeev, S., Bulanadi, R., Prokhorenko, S., Bellaiche, L., Chen, L., Nagarajan, V. & Seidel, J., May 2 2019, In : Advanced Functional Materials. 29, 18, 1807523.

Research output: Contribution to journalArticle

Domain walls
domain wall
switches
Switches
Ferroelectric materials
4 Citations (Scopus)

Conjugated Block Copolymers as Model Systems to Examine Mechanisms of Charge Generation in Donor–Acceptor Materials

Aplan, M. P., Grieco, C., Lee, Y., Munro, J. M., Lee, W., Gray, J. L., Seibers, Z. D., Kuei, B., Litofsky, J. H., Kilbey, S. M., Wang, Q., Dabo, I., Asbury, J. B. & Gomez, E. D., Jan 4 2019, In : Advanced Functional Materials. 29, 1, 1804858.

Research output: Contribution to journalArticle

block copolymers
Block copolymers
Charge transfer
charge transfer
Nanoparticles

Constraint Release Mechanisms for H-Polymers Moving in Linear Matrices of Varying Molar Masses

Lentzakis, H., Costanzo, S., Vlassopoulos, DI., Colby, R. H., Read, D. J., Lee, H., Chang, T. & Ruymbeke, E. V., Apr 23 2019, In : Macromolecules. 52, 8, p. 3010-3028 19 p.

Research output: Contribution to journalArticle

Molar mass
Polymers
1 Citation (Scopus)

Crack initiation in an indented metallic glass with embedded nanoparticle

Lee, K. H., Yang, Y. & Mauro, J., Jan 14 2019, In : Journal of Applied Physics. 125, 2, 025106.

Research output: Contribution to journalArticle

crack initiation
metallic glasses
shear
nanoparticles
modulus of elasticity
2 Citations (Scopus)

Current-Driven Insulator-To-Metal Transition in Strongly Correlated VO2

Shi, Y. & Chen, L. Q., Jan 1 2019, In : Physical Review Applied. 11, 1, 014059.

Research output: Contribution to journalArticle

transition metals
insulators
Joule heating
electric current
domain wall

Data-driven glass/ceramic science research: Insights from the glass and ceramic and data science/informatics communities

De Guire, E., Bartolo, L., Brindle, R., Devanathan, R., Dickey, E. C., Fessler, J., French, R. H., Fotheringham, U., Harmer, M., Lara-Curzio, E., Lichtner, S., Maillet, E., Mauro, J., Mecklenborg, M., Meredig, B., Rajan, K., Rickman, J., Sinnott, S. B., Spahr, C., Suh, C. & 3 others, Tandia, A., Ward, L. & Weber, R., Nov 1 2019, In : Journal of the American Ceramic Society. 102, 11, p. 6385-6406 22 p.

Research output: Contribution to journalArticle

Glass ceramics
Glass
Functional materials
Health care
Learning algorithms
1 Citation (Scopus)

Decarbonising ceramic manufacturing: A techno-economic analysis of energy efficient sintering technologies in the functional materials sector

Ibn-Mohammed, T., Randall, C. A., Mustapha, K. B., Guo, J., Walker, J., Berbano, S., Koh, S. C. L., Wang, D., Sinclair, D. C. & Reaney, I. M., Dec 1 2019, In : Journal of the European Ceramic Society. 39, 16, p. 5213-5235 23 p.

Research output: Contribution to journalArticle

Open Access
Functional materials
Economic analysis
Sintering
Energy conservation
Costs
8 Citations (Scopus)

Defect-Controlled Nucleation and Orientation of WSe 2 on hBN: A Route to Single-Crystal Epitaxial Monolayers

Zhang, X., Zhang, F., Wang, Y., Schulman, D. S., Zhang, T., Bansal, A., Alem, N., Das, S., Crespi, V. H., Terrones Maldonado, M. & Redwing, J. M., Mar 26 2019, In : ACS nano. 13, 3, p. 3341-3352 12 p.

Research output: Contribution to journalArticle

Monolayers
Nucleation
routes
Single crystals
nucleation

Densification of thermodynamically unstable tin monoxide using cold sintering process

Bang, S. H., Herisson De Beauvoir, T. & Randall, C. A., Apr 1 2019, In : Journal of the European Ceramic Society. 39, 4, p. 1230-1236 7 p.

Research output: Contribution to journalArticle

Tin
Densification
Sintering
Seebeck coefficient
Liquids
1 Citation (Scopus)

Direct measurement of electrocaloric effect in lead-free (Na 0.5 Bi 0.5 )TiO 3 -based multilayer ceramic capacitors

Le Goupil, F., Baker, A., Tonus, F., Berenov, A., Randall, C. A. & Alford, N. M. N., Sep 1 2019, In : Journal of the European Ceramic Society. 39, 11, p. 3315-3319 5 p.

Research output: Contribution to journalArticle

Ceramic capacitors
Multilayers
Lead
Permittivity measurement
Tapes
2 Citations (Scopus)

Direct observation of weakened interface clamping effect enabled ferroelastic domain switching

Li, M., Wang, B., Liu, H. J., Huang, Y. L., Zhang, J., Ma, X., Liu, K., Yu, D., Chu, Y. H., Chen, L. & Gao, P., Jun 1 2019, In : Acta Materialia. 171, p. 184-189 6 p.

Research output: Contribution to journalArticle

Polarization
Thin films
Domain walls
Aberrations
Actuators
8 Citations (Scopus)

Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors

Harrelson, T. F., Dantanarayana, V., Xie, X., Koshnick, C., Nai, D., Fair, R., Nuñez, S. A., Thomas, A. K., Murrey, T. L., Hickner, M. A., Grey, J. K., Anthony, J. E., Gomez, E. D., Troisi, A., Faller, R. & Moulé, A. J., Jan 1 2019, In : Materials Horizons. 6, 1, p. 182-191 10 p.

Research output: Contribution to journalArticle

Semiconducting organic compounds
Hole mobility
Semiconductor materials
Inelastic neutron scattering
Electrons
1 Citation (Scopus)

Distinct conducting layer edge states in two-dimensional (2D) halide perovskite

Wang, K., Wu, C., Jiang, Y., Yang, D., Wang, K. & Priya, S., Jul 12 2019, In : Science Advances. 5, 7, eaau3241.

Research output: Contribution to journalArticle

Open Access
halides
conduction
charging
quantum wells
electronic structure

Effect of Ge doping on growth stress and conductivity in Al x Ga 1-x N

Bansal, A., Wang, K., Lundh, J. S., Choi, S. & Redwing, J. M., Apr 8 2019, In : Applied Physics Letters. 114, 14, 142101.

Research output: Contribution to journalArticle

Open Access
germanium
conductivity
silicon
tensile stress
cracks
12 Citations (Scopus)
Repair
Porosity
Mechanical properties
Microstructure
Substrates

Effect of stresses on the dielectric and piezoelectric properties of Pb(Zr0.52Ti0.48)O3 thin films

Coleman, K., Walker, J., Beechem, T. & Trolier-McKinstry, S. E., Jul 21 2019, In : Journal of Applied Physics. 126, 3, 034101.

Research output: Contribution to journalArticle

dielectric properties
thin films
foils
mandrels
axial strain

Effect of substrate on the growth and properties of MoS 2 thin films grown by plasma-enhanced atomic layer deposition

Mughal, A. J., Walter, T. N., Cooley, K. A., Bertuch, A. & Mohney, S. E., Jan 1 2019, In : Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films. 37, 1, 010907.

Research output: Contribution to journalArticle

Atomic layer deposition
atomic layer epitaxy
Aluminum Oxide
Silicon
Plasmas
1 Citation (Scopus)
misalignment
solidification
Solidification
Molten materials
Anisotropy
6 Citations (Scopus)

Effect of water on topological constraints in silica glass

Potter, A. R., Wilkinson, C. J., Kim, S. & Mauro, J., Feb 1 2019, In : Scripta Materialia. 160, p. 48-52 5 p.

Research output: Contribution to journalArticle

silica glass
Fused silica
Constraint theory
Glass
Water

Effects of Hf, Y, and Zr on Alumina Scale Growth on NiAlCr and NiAlPt Alloys

Kim, D. E., Shang, S., Li, Z., Gleeson, B. & Liu, Z., Oct 1 2019, In : Oxidation of Metals. 92, 3-4, p. 303-313 11 p.

Research output: Contribution to journalArticle

Aluminum Oxide
Alumina
Doping (additives)
Oxides
Chemical elements

Effects of water on the mechanical properties of silica glass using molecular dynamics

Mei, H., Yang, Y., Van Duin, A., Sinnott, S. B., Mauro, J., Liu, L. & Fu, Z., Oct 1 2019, In : Acta Materialia. 178, p. 36-44 9 p.

Research output: Contribution to journalArticle

Fused silica
Molecular dynamics
Mechanical properties
Water
Silicon Dioxide
1 Citation (Scopus)

Electrical polarization induced by atomically engineered compositional gradient in complex oxide solid solution

Wu, P. C., Huang, R., Hsieh, Y. H., Wang, B., Yen, M., Ho, S. Z., Kumamoto, A., Zhong, C., Song, H., Chen, Y. C., Chen, L., Duan, C. G., Ikuhara, Y. & Chu, Y. H., Dec 1 2019, In : NPG Asia Materials. 11, 1, 17.

Research output: Contribution to journalArticle

Open Access
Oxides
Solid solutions
solid solutions
Polarization
genome

Electric field induced splitting of the preferred orientation in PMN-PT textured ceramics

Gollapudi, S., Gao, M., Li, J., Chang, Y., Messing, G. L., Meyer, Jr., R. J. & Viehland, D., Sep 1 2019, In : Journal of the American Ceramic Society. 102, 9, p. 5038-5044 7 p.

Research output: Contribution to journalArticle

Poles
Textures
Electric fields
Single crystals
Texturing

Electrochemical Behavior of Telluride Ions (Te 2- ) in Molten LiCl-Li 2 Te Solution at 650 °c

Lichtenstein, T., Elbaar, N. A., Ouchi, T. & Kim, H., Jan 22 2019, In : Inorganic Chemistry. 58, 2, p. 1548-1554 7 p.

Research output: Contribution to journalArticle

tellurides
Molten materials
Ions
ions
diffusivity

Electrochemical stability and light-harvesting ability of silicon photoelectrodes in aqueous environments

Campbell, Q. & Dabo, I., Jul 28 2019, In : Journal of Chemical Physics. 151, 4, 044109.

Research output: Contribution to journalArticle

Silicon
surface stability
water splitting
electrodes
silicon

Electrokinetic Phenomena Enhanced Lithium-Ion Transport in Leaky Film for Stable Lithium Metal Anodes

Li, G., Liu, Z., Wang, D., He, X., Liu, S., Gao, Y., AlZahrani, A., Kim, S., Chen, L. & Wang, D., Jun 12 2019, In : Advanced Energy Materials. 9, 22, 1900704.

Research output: Contribution to journalArticle

Lithium
Anodes
Metals
Ions
Dendrites (metallography)

Electrokinetic Streaming-Current Methods to Probe the Electrode-Electrolyte Interface under Applied Potentials

Saha, P., Nam, C., Hickner, M. A. & Zenyuk, I. V., Aug 15 2019, In : Journal of Physical Chemistry C. 123, 32, p. 19493-19505 13 p.

Research output: Contribution to journalArticle

electrokinetics
Electrolytes
Metals
electrolytes
Electrodes

Emergence of the Vortex State in Confined Ferroelectric Heterostructures

Hsu, S. L., McCarter, M. R., Dai, C., Hong, Z., Chen, L., Nelson, C. T., Martin, L. W. & Ramesh, R., Sep 1 2019, In : Advanced Materials. 31, 36, 1901014.

Research output: Contribution to journalArticle

Ferroelectric materials
Heterojunctions
Vortex flow
Superlattices
Synchrotrons
1 Citation (Scopus)

Emergent room temperature polar phase in CaTiO 3 nanoparticles and single crystals

Ramirez, M. O., Lummen, T. T. A., Carrasco, I., Barnes, E., Aschauer, U., Stefanska, D., Sen Gupta, A., De Las Heras, C., Akamatsu, H., Holt, M., Molina, P., Barnes, A., Haislmaier, R. C., Deren, P. J., Prieto, C., Bausá, L. E., Spaldin, N. A. & Gopalan, V., Jan 1 2019, In : APL Materials. 7, 1, 011103.

Research output: Contribution to journalArticle

Single crystals
Polarization
Nanoparticles
Powders
Nonlinear optics
1 Citation (Scopus)

Energy scavenging from ultra-low temperature gradients

Kishore, R. A., Davis, B., Greathouse, J., Hannon, A., Emery Kennedy, D., Millar, A., Mittel, D., Nozariasbmarz, A., Kang, M-G., Kang, H. B., Sanghadasa, M. & Priya, S., Mar 1 2019, In : Energy and Environmental Science. 12, 3, p. 1008-1018 11 p.

Research output: Contribution to journalArticle

Energy harvesting
Scavenging
Thermal energy
Thermal gradients
temperature gradient
3 Citations (Scopus)

Enhanced flexoelectricity at reduced dimensions revealed by mechanically tunable quantum tunnelling

Das, S., Wang, B., Paudel, T. R., Park, S. M., Tsymbal, E. Y., Chen, L. Q., Lee, D. & Noh, T. W., Dec 1 2019, In : Nature communications. 10, 1, 537.

Research output: Contribution to journalArticle

Open Access
tunnels
Tunnels
gradients
Electromechanical coupling
Ultrathin films

Enhanced Performance and Stability in DNA-Perovskite Heterostructure-Based Solar Cells

Hou, Y., Wang, K., Yang, D., Jiang, Y., Yennawar, N., Wang, K., Sanghadasa, M., Wu, C. & Priya, S., Jan 1 2019, (Accepted/In press) In : ACS Energy Letters. p. 2646-2655 10 p.

Research output: Contribution to journalArticle

Chlorine Compounds
Hole mobility
Chlorine compounds
Perovskite
Heterojunctions
4 Citations (Scopus)

Enhanced Thermoelectric Performance of Yb-Single-Filled Skutterudite by Ultralow Thermal Conductivity

Li, W., Wang, J., Xie, Y., Gray, J. L., Heremans, J. J., Kang, H. B., Poudel, B., Huxtable, S. T. & Priya, S., Feb 12 2019, In : Chemistry of Materials. 31, 3, p. 862-872 11 p.

Research output: Contribution to journalArticle

Skutterudites
Thermal conductivity
Phonon scattering
Cascades (fluid mechanics)
Thermoelectric power

Epitaxial SrTi O3 film on silicon with narrow rocking curve despite huge defect density

Wang, Z., Goodge, B. H., Baek, D. J., Zachman, M. J., Huang, X., Bai, X., Brooks, C. M., Paik, H., Mei, A. B., Brock, J. D., Maria, J. P., Kourkoutis, L. F. & Schlom, D. G., Jul 29 2019, In : Physical Review Materials. 3, 7, 073403.

Research output: Contribution to journalArticle

Strontium titanates
strontium titanates
Defect density
Binary alloys
Silicon

ESPEI for efficient thermodynamic database development, modification, and uncertainty quantification: Application to Cu-Mg

Bocklund, B., Otis, R., Egorov, A., Obaied, A., Roslyakova, I. & Liu, Z. K., Jun 1 2019, In : MRS Communications. 9, 2, p. 618-627 10 p.

Research output: Contribution to journalArticle

Thermodynamics
Gibbs free energy
Software packages
Phase equilibria
Parameter estimation

Estimation of the Standard Free Energy of Formation of Bastnasite, REFCO3

Al-Nafai, I., Kim, H. & Osseo-Asare, K. A., Feb 1 2019, In : Mining, Metallurgy and Exploration. 36, 1, p. 227-233 7 p.

Research output: Contribution to journalArticle

Cerium
cerium
Free energy
diagram
Gibbs free energy

Evaluating graphene oxide and holey graphene oxide membrane performance for water purification

Buelke, C., Alshami, A., Casler, J., Lin, Y., Hickner, M. A. & Aljundi, I. H., Oct 15 2019, In : Journal of Membrane Science. 588, 117195.

Research output: Contribution to journalArticle

water treatment
Graphite
Water Purification
Oxides
Graphene

Expanding polyethylene and polypropylene applications to high-energy areas by applying polyolefin-bonded antioxidants

Chung, T., Aug 13 2019, In : Macromolecules. 52, 15, p. 5618-5637 20 p.

Research output: Contribution to journalArticle

Polypropylenes
Polyolefins
Polyethylene
Phenol
Antioxidants
3 Citations (Scopus)

Experiments and simulations on solidification microstructure for Inconel 718 in powder bed fusion electron beam additive manufacturing

Knapp, G. L., Raghavan, N., Plotkowski, A. & Debroy, T., Jan 1 2019, In : Additive Manufacturing. 25, p. 511-521 11 p.

Research output: Contribution to journalArticle

3D printers
Powders
Solidification
Electron beams
Fusion reactions

Facile 1D graphene fiber synthesis from an agricultural by-product: A silicon-mediated graphenization route

Fujisawa, K., Lei, Y., de Tomas, C., Suarez-Martinez, I., Zhou, C., Lin, Y. C., Subramanian, S., Elias Arriaga, A. L., Fujishige, M., Takeuchi, K., Robinson, J. A., Marks, N. A., Endo, M. & Terrones Maldonado, M., Feb 1 2019, In : Carbon. 142, p. 78-88 11 p.

Research output: Contribution to journalArticle

Graphite
Silicon
Graphene
Byproducts
Sublimation

Ferroelectric domain structures and temperature-misfit strain phase diagrams of K1-xNaxNbO3 thin films: A phase-field study

Wang, B., Chen, H. N., Wang, J. J. & Chen, L., Aug 26 2019, In : Applied Physics Letters. 115, 9, 092902.

Research output: Contribution to journalArticle

Open Access
phase diagrams
thin films
temperature
niobates
dielectric properties
2 Citations (Scopus)

FeSx-graphene heterostructures: Nanofabrication-compatible catalysts for ultra-sensitive electrochemical detection of hydrogen peroxide

Ebrahimi, S., Zhang, K., Dong, C., Subramanian, S., Butler, D., Bolotsky, A., Goodnight, L., Cheng, Y. & Robinson, J. A., Apr 15 2019, In : Sensors and Actuators, B: Chemical. 285, p. 631-638 8 p.

Research output: Contribution to journalArticle

Graphite
nanofabrication
hydrogen peroxide
Nanotechnology
Hydrogen peroxide
1 Citation (Scopus)

First-principles investigation of BiVO 3 for thermochemical water splitting

Ong, M., Campbell, Q., Dabo, I. & Jishi, R. A., Jan 15 2019, In : International Journal of Hydrogen Energy. 44, 3, p. 1425-1430 6 p.

Research output: Contribution to journalArticle

water splitting
hydrogen production
Hydrogen production
catalysts
Catalysts
1 Citation (Scopus)

First-principles lattice dynamics and thermodynamic properties of pre-perovskite PbTiO 3

Zhou, M. J., Wang, Y., Ji, Y., Liu, Z., Chen, L. & Nan, C. W., Jun 1 2019, In : Acta Materialia. 171, p. 146-153 8 p.

Research output: Contribution to journalArticle

Lattice vibrations
Perovskite
Thermodynamic properties
Nanowires
Entropy