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1

Crystalline Oxides on Silicon

James W. Reiner, Alexie M. Kolpak, Yaron Segal, Kevin F. Garrity, Sohrab Ismail-Beigi, Charles H. Ahn, Fred J. Walker

Journal:

Advanced Materials

Year:

2010

Language:

english

File:

PDF, 1.66 MB

english, 2010

2

Thickness-Dependent Photoelectrochemical Water Splitting on Ultrathin LaFeO 3 Films Grown on Nb:SrTiO 3

May, Kevin J., Fenning, David P., Ming, Tian, Hong, Wesley T., Lee, Dongkyu, Stoerzinger, Kelsey A., Biegalski, Michael D., Kolpak, Alexie M., Shao-Horn, Yang

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 3.17 MB

english, 2015

3

First-principles design and analysis of an efficient, Pb-free ferroelectric photovoltaic absorber derived from ZnSnO 3

Kolb, Brian, Kolpak, Alexie M

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 24.60 MB

english, 2015

4

Impact of thermally dead volume on phonon conduction along silicon nanoladders

Park, Woosung, Sohn, Joon, Romano, Giuseppe, Kodama, Takashi, Sood, Aditya, Katz, Joseph S., Kim, Brian S. Y., So, Hongyun, Ahn, Ethan C., Asheghi, Mehdi, Kolpak, Alexie M., Goodson, Kenneth E.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

5

Exceptional electrocatalytic oxygen evolution via tunable charge transfer interactions in La0.5Sr1.5Ni1−xFexO4±δ Ruddlesden-Popper oxides

Forslund, Robin P., Hardin, William G., Rong, Xi, Abakumov, Artem M., Filimonov, Dmitry, Alexander, Caleb T., Mefford, J. Tyler, Iyer, Hrishikesh, Kolpak, Alexie M., Johnston, Keith P., Stevenson, Kei

Journal:

Nature Communications

Year:

2018

Language:

english

File:

PDF, 1.54 MB

english, 2018

6

Electronic and Magnetic Properties of SrTiO3/LaAlO3 Interfaces from First Principles

Hanghui Chen, Alexie M. Kolpak, Sohrab Ismail-Beigi

Journal:

Advanced Materials

Year:

2010

Language:

english

File:

PDF, 1004 KB

english, 2010

7

ChemInform Abstract: Crystalline Oxides on Silicon

James W. Reiner, Alexie M. Kolpak, Yaron Segal, Kevin F. Garrity, Sohrab Ismail-Beigi, Charles H. Ahn, Fred J. Walker

Journal:

Year:

2010

File:

PDF, 63 KB

2010

8

ChemInform Abstract: Electronic and Magnetic Properties of SrTiO3/LaAlO3 Interfaces from First Principles

Hanghui Chen, Alexie M. Kolpak, Sohrab Ismail-Beigi

Journal:

Year:

2010

File:

PDF, 66 KB

2010

9

ChemInform Abstract: Electronic and Magnetic Properties of SrTiO3/LaAlO3 Interfaces from First Principles

Hanghui Chen, Alexie M. Kolpak, Sohrab Ismail-Beigi

Journal:

Year:

2010

File:

PDF, 15 KB

2010

10

Stabilization of highly polarized PbTiO_{3} nanoscale capacitors due to in-plane symmetry breaking at the interface

Méndez Polanco, Miguel Angel, Grinberg, Ilya, Kolpak, Alexie M., Levchenko, Sergey V., Pynn, Christopher, Rappe, Andrew M.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.43 MB

english, 2012

11

Growth and interfacial properties of epitaxial oxides on semiconductors: ab initio insights

Garrity, Kevin F., Kolpak, Alexie M., Ismail-Beigi, Sohrab

Journal:

Journal of Materials Science

Year:

2012

Language:

english

File:

PDF, 1.81 MB

english, 2012

12

Ferroelectric Phase Transition in Individual Single-Crystalline BaTiO 3 Nanowires

Spanier, Jonathan E., Kolpak, Alexie M., Urban, Jeffrey J., Grinberg, Ilya, Ouyang, Lian, Yun, Wan Soo, Rappe, Andrew M., Park, Hongkun

Journal:

Year:

2006

Language:

english

File:

PDF, 1.02 MB

english, 2006

13

surface

Garrity, Kevin, Kakekhani, Arvin, Kolpak, Alexie, Ismail-Beigi, Sohrab

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 5.35 MB

english, 2013

14

Azobenzene-Functionalized Carbon Nanotubes As High-Energy Density Solar Thermal Fuels

Kolpak, Alexie M., Grossman, Jeffrey C.

Journal:

Year:

2011

Language:

english

File:

PDF, 1022 KB

english, 2011

15

Ultrafast band-gap oscillations in iron pyrite

Kolb, Brian, Kolpak, Alexie M.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 1.08 MB

english, 2013

16

Templated assembly of photoswitches significantly increases the energy-storage capacity of solar thermal fuels

Kucharski, Timothy J., Ferralis, Nicola, Kolpak, Alexie M., Zheng, Jennie O., Nocera, Daniel G., Grossman, Jeffrey C.

Journal:

Nature Chemistry

Year:

2014

Language:

english

File:

PDF, 3.32 MB

english, 2014

17

Understanding the Composition and Activity of Electrocatalytic Nanoalloys in Aqueous Solvents: A Combination of DFT and Accurate Neural Network Potentials

Artrith, Nongnuch, Kolpak, Alexie M.

Journal:

Year:

2014

Language:

english

File:

PDF, 4.43 MB

english, 2014

18

[IEEE 2006 HPCMP Users Group Conference (HPCMP-UGC'06) - Denver, CO, USA (2006.06.26-2006.06.29)] 2006 HPCMP Users Group Conference (HPCMP-UGC'06) - New Ferroelectrics for Naval SONAR and Modeling of Nanoscale Ferroelectric Nonvolatile Memory Materials

Kolpak, Alexie M., Grinberg, Ilya, M., Andrew, Brown, Shawn T.

Year:

2006

Language:

english

File:

PDF, 469 KB

english, 2006

19

-Supported Pt Films

Kolpak, Alexie M., Grinberg, Ilya, Rappe, Andrew M.

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 787 KB

english, 2007

20

Surface

Kolpak, Alexie M., Li, Dongbo, Shao, Rui, Rappe, Andrew M., Bonnell, Dawn A.

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 893 KB

english, 2008

21

Fundamental asymmetry in interfacial electronic reconstruction between insulating oxides: An ab initio study

Chen, Hanghui, Kolpak, Alexie M., Ismail-Beigi, Sohrab

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 274 KB

english, 2009

22

heterointerfaces and their variants

Chen, Hanghui, Kolpak, Alexie, Ismail-Beigi, Sohrab

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 1.16 MB

english, 2010

23

thin films [Phys. Rev. B 74 , 054112 (2006)]

Kolpak, Alexie M., Sai, Na, Rappe, Andrew M.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 21 KB

english, 2006

24

thin films

Kolpak, Alexie M., Sai, Na, Rappe, Andrew M.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 248 KB

english, 2006

25

Erratum: Ferroelectricity in ultrathin perovskite films [Phys. Rev. B 72 , 020101(R) (2005)]

Sai, Na, Kolpak, Alexie M., Rappe, Andrew M.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 21 KB

english, 2006

26

Supported metal electronic structure: Implications for molecular adsorption

Cooper, Valentino R., Kolpak, Alexie M., Yourdshahyan, Yashar, Rappe, Andrew M.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 200 KB

english, 2005

27

Ferroelectricity in ultrathin perovskite films

Sai, Na, Kolpak, Alexie M., Rappe, Andrew M.

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 377 KB

english, 2005

28

Hybrid chromophore/template nanostructures: A customizable platform material for solar energy storage and conversion

Kolpak, Alexie M., Grossman, Jeffrey C.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.88 MB

english, 2013

29

Ab Initio Approach for Prediction of Oxide Surface Structure, Stoichiometry, and Electrocatalytic Activity in Aqueous Solution

Rong, Xi, Kolpak, Alexie M.

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 1016 KB

english, 2015

30

Grand canonical molecular dynamics simulations of Cu–Au nanoalloys in thermal equilibrium using reactive ANN potentials

Artrith, Nongnuch, Kolpak, Alexie M.

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 2.19 MB

english, 2015

31

A Fundamental Relationship between Reaction Mechanism and Stability in Metal Oxide Catalysts for Oxygen Evolution

Rong, Xi, Parolin, Jules, Kolpak, Alexie M

Journal:

Year:

2016

Language:

english

File:

PDF, 746 KB

english, 2016

32

Elucidating the Nature of the Active Phase in Copper/Ceria Catalysts for CO Oxidation

Elias, Joseph S., Artrith, Nongnuch, Bugnet, Matthieu, Giordano, Livia, Botton, Gianluigi A., Kolpak, Alexie M., Shao-Horn, Yang

Journal:

Year:

2016

Language:

english

File:

PDF, 2.02 MB

english, 2016

33

PbTiO 3 (001) Capped with ZnO(112̅0): An ab Initio Study of Effect of Substrate Polarization on Interface Composition and CO 2 Dissociation

Alawode, Babatunde O., Kolpak, Alexie M.

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.92 MB

english, 2016

34

Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization

Lentz, Levi C., Kolb, Brian, Kolpak, Alexie M.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 9.54 MB

english, 2016

35

[IEEE 2015 IEEE 42nd Photovoltaic Specialists Conference (PVSC) - New Orleans, LA (2015.6.14-2015.6.19)] 2015 IEEE 42nd Photovoltaic Specialist Conference (PVSC) - Broadband photoelectric hot carrier collection with wafer-scale metallic-semiconductor photonic crystals

Chou, Jeffrey B., Fenning, David P., Yu Wang,, Mendez Polanco, Miguel Angel, Hwang, Jonathan, El-Faer, Asmaa, Sammoura, Firas, Viegas, Jaime, Rasras, Mahmoud, Kolpak, Alexie M., Yang Shao-Horn,, San

Year:

2015

Language:

english

File:

PDF, 1.26 MB

english, 2015

36

Engineering Transition-Metal-Coated Tungsten Carbides for Efficient and Selective Electrochemical Reduction of CO 2 to Methane

Wannakao, Sippakorn, Artrith, Nongnuch, Limtrakul, Jumras, Kolpak, Alexie M.

Journal:

Year:

2015

Language:

english

File:

PDF, 1.32 MB

english, 2015

37

SPIE Proceedings [SPIE Optical Science and Technology, SPIE's 48th Annual Meeting - San Diego, CA (Sunday 3 August 2003)] Physical Chemistry of Interfaces and Nanomaterials II - Catalytic behavior at the nanoscale: CO adsorption on Al2O3-supported Pt clusters

Yourdshahyan, Yashar, Cooper, Valentino R., Kolpak, Alexie M., Rappe, Andrew M., Lian, Tianquan, Dai, Hai-Lung

Year:

2003

Language:

english

File:

PDF, 496 KB

english, 2003

38

Temperature-dependent thermal conductivity in silicon nanostructured materials studied by the Boltzmann transport equation

Romano, Giuseppe, Esfarjani, Keivan, Strubbe, David A., Broido, David, Kolpak, Alexie M.

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 555 KB

english, 2016

39

Reduced Overpotentials for Electrocatalytic Water Splitting over Fe- and Ni-modfied BaTiO 3

Artrith, Nongnuch, Sailaum, Wutthigrai, Limpijumnong, Sukit, Kolpak, Alexie

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.54 MB

english, 2016

40

Water electrolysis on La1−xSrxCoO3−δ perovskite electrocatalysts

Mefford, J. Tyler, Rong, Xi, Abakumov, Artem M., Hardin, William G., Dai, Sheng, Kolpak, Alexie M., Johnston, Keith P., Stevenson, Keith J.

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 4.27 MB

english, 2016

41

Directional Phonon Suppression Function as a Tool for the Identification of Ultralow Thermal Conductivity Materials

Romano, Giuseppe, Kolpak, Alexie M.

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1015 KB

english, 2017

42

Thermal anisotropy enhanced by phonon size effects in nanoporous materials

Romano, Giuseppe, Kolpak, Alexie M.

Journal:

Applied Physics Letters

Year:

2017

Language:

english

File:

PDF, 889 KB

english, 2017

43

First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates

Lentz, Levi C., Kolpak, Alexie M.

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 2.28 MB

english, 2017

44

Phonon Conduction in Silicon Nanobeam Labyrinths

Park, Woosung, Romano, Giuseppe, Ahn, Ethan C., Kodama, Takashi, Park, Joonsuk, Barako, Michael T., Sohn, Joon, Kim, Soo Jin, Cho, Jungwan, Marconnet, Amy M., Asheghi, Mehdi, Kolpak, Alexie M., Goodso

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1.07 MB

english, 2017

45

Catalytic Activity and Product Selectivity Trends for Carbon Dioxide Electroreduction on Transition Metal-Coated Tungsten Carbides

Wannakao, Sippakorn, Artrith, Nongnuch, Limtrakul, Jumras, Kolpak, Alexie M

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.47 MB

english, 2017

46

Single atomic layer ferroelectric on silicon

Dogan, Mehmet, Fernandez-Pena, Stephanie, Kornblum, Lior, Jia, Yichen, Kumah, Divine, Reiner, James, Krivokapic, Zoran, Kolpak, Alexie M, Ismail-Beigi, Sohrab, Ahn, Charles, Walker, Frederick

Journal:

Year:

2017

Language:

english

File:

PDF, 1.79 MB

english, 2017

47

Electronic Origin and Kinetic Feasibility of the Lattice Oxygen Participation During the Oxygen Evolution Reaction on Perovskites

Yoo, Jong Suk, Liu, Yusu, Rong, Xi, Kolpak, Alexie M

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 905 KB

english, 2018

48

Role of Lattice Oxygen Participation in Understanding Trends in the Oxygen Evolution Reaction on Perovskites

Yoo, Jong Suk, Rong, Xi, Liu, Yusu, Kolpak, Alexie M

Journal:

Year:

2018

Language:

english

File:

PDF, 944 KB

english, 2018

49

Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods

Kolb, Brian, Lentz, Levi C., Kolpak, Alexie M.

Journal:

Scientific Reports

Year:

2017

Language:

english

File:

PDF, 1.78 MB

english, 2017

50

Publisher Correction: First-principles design of nanostructured hybrid photovoltaics based on layered transition metal phosphates

Lentz, Levi C., Kolpak, Alexie M.

Journal:

Scientific Reports

Year:

2018

Language:

english

File:

PDF, 644 KB

english, 2018