Source: https://www.cngmd-efrc.org/publications.html
Timestamp: 2019-04-21 11:08:41+00:00

Document:
Principal investigators of the Center for Next Generation of Materials Design publish results of their scientific research within the center. Below are citations of these publications—categorized from newest to oldest under each project. DOI links are provided to the abstracts and/or full papers. Also, links are provided to CNGMD Highlight slides where available.
Y. Han, B. Matthews, D. Roberts, K. Talley, S.R. Bauers, C. Perkins, Q. Zhang, and A. Zakutayev, ACS Combinatorial Science, 20, 436 (2018).
S. Manna, K. Talley, P. Gorai, J. Mangum, A. Zakutayev, G. Brennecka, V. Stevanovic, and C.V. Ciobanu, Physical Review Applied, 9, 034026 (2018).
E. Arca, S. Lany, J.D. Perkins, C. Bartel, J. Mangum, W. Sun, A. Holder, G. Ceder, B. Gorman, G. Teeter, W. Tumas, and A. Zakutayev, J. American Chemical Society, on-line, (2018).
V.S. Bhadram, H. Liu, E. Xu, T. Li, V.B. Prakapenka, R. Hrubiak, S. Lany, and T. A. Strobel, Physical Review Materials, 2 (2018).
W. Sun, A. Holder, B. Orvananos, E. Arca, A. Zakutayev, S. Lany, and G. Ceder, Chemistry of Materials, 29, (2017).
Computationally driven two-dimensional materials design: What is next?
J. Pan, S. Lany, and Y. Qi, ACS Nano (2017).
A. Bikowski, S. Siol, J. Gu, A. Holder, J.S. Mangum, B. Gorman, W. Tumas, S. Lany, and A. Zakutayev, Chemistry of Materials, 29 (2017).
W. Sun, S.T. Dacek, S.P. Ong, G. Hautier, A. Jain, W.D. Richards, A.C. Gamst, K.A. Persson, and G. Ceder, Science Advances, 2, e1600225 (2016).
C.M. Caskey, A. Holder, S. Shulda, S.T. Christensen, D. Diercks, C.P. Schwartz, D. Biagioni, D. Nordlund, A. Kukliansky, A. Natan, D. Prendergast, B. Ovrananos, W. Sun, X.W. Zhang, G. Ceder, D.S. Ginley, J.D. Perkins, V. Stevanovic, S. Pylypenko, S. Lany, R.M. Richards, and A. Zakutayev, J. Chem. Phys., 144, 144201 (2016).
A. Zakutayev, J. Mater. Chem. A, 4 (2016).
C.M. Caskey, J.A. Seabold, V. Stevanović, M. Ma, W.A. Smith, D.S. Ginley, N.R. Neale, R.M. Richards, S. Lany, and A. Zakutayev, J. Mater. Chem. C, 3 (2014).
J.S. Mangum, O. Agirseven, J.E.S. Haggerty, J.D. Perkins, L.T. Schelhas, D.A. Kitchaev, L.M. Garten, D.S. Ginley, M.F. Toney, J. Tate, and B.P. Gorman, Journal of Non-Crystalline Solids, 505, 109 (2019).
B.-R. Chen, W. Sun, D.A. Kitchaev, J.S. Mangum, V. Thampy, L.M. Garten, D.S. Ginley, B.P. Gorman, K.H. Stone, G. Ceder, M.F. Toney, and L.T. Schelhas, Nature Communications, 9, 2553 (2018).
Z.M. Chan, D.A. Kitchaev, J. Nelson Weker, C. Schnedermann, K. Lim, G. Ceder, W. Tumas, M.F. Toney, and D.G. Nocera, Proceedings of the National Academy of Sciences of the United States of America, 115, E5261 (2018).
X. Hu, D.A. Kitchaev, L. Wu, B. Zhang, Q. Meng, A.S. Poyraz, A.C. Marschilok, E.S. Takeuchi, K.J. Takeuchi, G. Ceder, and Y. Zhu, Journal of the American Chemical Society, 140, 6961 (2018).
M. Aykol, S. Dwaraknath, W. Sun, and K.A. Persson, Science Advances, 4, eaaq0148 (2018).
V. Stevanovic, R. Trottier, F. Therrien, C.B. Musgrave, A. Holder, and P. Graf, Physical Review Materials, 2, 033802 (2018).
V.S. Bhadram, Q. Cheng, C.K. Chan, Y. Liu, S. Lany, K. Landskron, and T. A. Strobel, ACS Applied Energy Materials, 1 (2018).
J. Haggerty, L.T. Schelhas, D.A. Kitchaev, J. Mangum, L. Garten, W. Sun, K. Stone, J.D. Perkins, M.F. Toney, G. Ceder, D.S. Ginley, B. Gorman, and J. Tate, Scientific Reports, 7 (2017).
Polymorphism in elemental silicon: Probabilistic interpretation of the realizability of metastable structures E. Jones and V. Stevanovic, Physical Review B, 96 (2017).
W. Sun, and G. Ceder, CrystEngComm, 19, 4576 (2017).
D.A. Kitchaev, S.T. Dacek, W. Sun, and G. Ceder, Journal of the American Chemical Society, 139, 2672 (2016).
K. Stone, L.T. Schelhas, L. Garten, B. Shyam, A. Mehta, P.F. Ndione, D.S. Ginley, and M.F. Toney, APL Materials, 4, 076103 (2016).
H. Ding, S. Dwaraknath, L. Garten, D.S. Ginley, and K.A. Persson, ACS Applied Materials and Interfaces, 8 (2016).
V. Stevanovic, Physical Review Letters, 116, 075503 (2016).
D.A. Kitchaev, H. Peng, Y. Liu, J. Sun, J.P. Perdew, and G. Ceder, Physical Review B, 93, 045132 (2016).
M. Huynh, C. Shi, S.J.L. Billinge, and D.G. Nocera, J. American Chemical Society 137, 14887 (2015).
D. Wu, Y. Chen, S. Manna, K. Talley, A. Zakutayev, G. Brennecka, C.V. Ciobanu, P. Constantine, C.E. Packard, and C.E. Packard, IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control (2018).
Y. Han, A.M. Holder, S. Siol, S. Lany, Q. Zhang, and A. Zakutayev, The Journal of Physical Chemistry C, 122, 18769 (2018).
K.R. Talley, S.L. Millican, J. Mangum, S. Siol, C.B. Musgrave, B. Gorman, A.M. Holder, A. Zakutayev, and G.L. Brennecka, Physical Review Materials, 2, 063802 (2018).
S. Siol, Y. Han, J. Mangum, P. Schulz, A.M. M. Holder, T.R. Klein, M.F.A.M. van Hest, B. Gorman, and A. Zakutayev, J. Mater. Chem. C, 6, 6297 (2018).
S. Siol, A. Holder, J. Steffes, L.T. Schelhas, K.H. Stone, L. Garten, J.D. Perkins, P.A. Parilla, M.F. Toney, B.D. Huey, W. Tumas, S. Lany, and A. Zakutayev, Science Advances, 4, eaaq1442 (2018).
Y. Han, S. Siol, Q. Zhang, and A. Zakutayev, Chemistry of Materials, 29 (2017).
H. Zhou, X. Lou, K. Sutherlin, J. Summers, S.B. Kim, K.D. Chabak, R.G. Gordon, and P.D. Ye, IEEE Electron Device Letters, 38 (2016).
B.E. Matthews, A.M. Holder, L.T. Schelhas, S. Siol, J.W. May, M.R. Forkner, D. Vigil-Fowler, M.F. Toney, J.D. Perkins, B.P. Gorman, A. Zakutayev, S. Lany, and J. Tate, Journal of Materials Chemistry A (2017).
H. Zhou, X. Lou, S.B. Kim, K.D. Chabak, R.G. Gordon and P.D. Ye, IEEE Electron Device Letters, 38 (2017).
A.M. Holder, S. Siol, P.F. Ndione, H. Peng, A.M. Deml, B.E. Mathews, L.T. Schelhas, M.F. Toney, R.G. Gordon, W. Tumas, J.D. Perkins, D.S. Ginley, B.P. Gorman, J. Tate, A. Zakutayev, and S. Lany, Science Advances, 3, e1700270 (2017).
S. Siol, A. Holder, B.R. Ortiz, P.A. Parilla, E. Toberer, S. Lany, and A. Zakutayev, RSC Advances, 7, 24747 (2017).
X. Lou, H. Zhou, S.B. Kim, S. Alghamdi, X. Gong, J. Feng, X. Wang, P.D. Ye, and R. Gordon, Nano Letters, 16, 7650 (2016).
H. Peng, P.F. Ndione, D.S. Ginley, A. Zakutayev, and S. Lany, Physical Review X, 5, 021016 (2015).
S. Lany, APL Mater., 6, 046103 (2018).
S. Lany, J. Chem. Phys, 148 (2018).
L.M. Garten, A. Zakutayev, J.D. Perkins, B.P. Gorman, P.F. Ndione, and D.S. Ginley, MRS Communications, 6, 348 (2016).
K. Lim, L.T. Schelhas, S.C. Siah, R.E. Brandt, A. Zakutayev, S. Lany, B. Gorman, C. Sun, D.S. Ginley, T. Buonassisi, and M.F. Toney, APL Materials, 109, 141909 (2016).
S.C. Siah, R.E. Brandt, K. Kim, L.T. Schelhas, R. Jaramillo, M.D. Heinemann, D. Chua, J. Wright, J.D. Perkins, C.U. Segree, R.G. Gordon, M.F. Toney, and T. Buonassisi, Applied Physics Letters 107, 252103 (2015).
R.E. Brandt, R.C. Kurchin, V. Steinmann, D. Kitchaev, C. Roat, S. Levcenco, G. Ceder, T. Unold, and T. Buonassisi, Joule, 1 (2017).
R.L.Z. Hoye, L.C. Lee, R.C. Kurchin, T.N. Hug, K.H.L. Zhang, M. Sponseller, L. Nienhaus, R.E. Brandt, J. Jean, J.A. Polizzotti, A. Kursumovic, M.G. Bawendi, V. Bulovic, V. Stevanovic, T. Buonassisi, and J.L. MacManus-Driscoll, Advanced Materials, on-line, 1702176 (2017).
J.R. Poindexter, R.L.Z. Hoye, L. Nienhaus, R.C. Kurchin, A.E. Morishige, E.E. Looney, A. Osherov, J.P. Correa-Baena, B. Lai, V. Bulovic, V. Stevanovic, M.G. Bawendi, and T. Buonassisi, ACS Nano, 11 (2017).
R.E. Brandt, J.R. Poindexter, R.C. Kurchin, P. Gorai, R.L.Z. Hoye, L. Nienhaus, M.W.B. Wilson, J.A. Polizzotti, R. Sereika, R. Zaltauskas, L.C. Lee, J.L. MacManus-Driscoll, M.G. Bawendi, V. Stevanovic, and T. Buonassisi, Chemistry of Materials, Article ASAP (2017).
R.E. Brandt, N.M. Mangan, J.V. Li, Y.S. Lee, and T. Buonassisi, Journal of Applied Physics, 121, 185301 (2017).
R.L.Z. Hoye, P. Schulz, L.T. Schelhas, A.M. Holder, K.H. Stone, J.D. Perkins, D. Vigil-Fowler, S. Siol, D.O. Scanlon, A. Zakutayev, A. Walsh, I.C. Smith, B.C. Melot, R.C. Kurchin, Y. Wang, W. Tumas, S. Lany, V. Stevanovic, M.F. Toney, and T. Buonassisi, Chemistry of Materials, 29, 1964 (2016).
R.L.Z. Hoye, R.E. Brandt, A. Osherov, V. Stevanovic, S.D. Stranks, M.W.B. Wilson, H. Kim, A.J. Akey, J.D. Perkins, R.C. Kurchin, J.R. Poindexter, E.N. Wang, M.G. Bawendi, V. Bulovic, and T. Buonassisi, Chem. Eur. J., 22, 2605 (2015).
R.E. Brandt, R.C. Kurchin, R.L.Z. Hoye, J.R. Poindexter, M.W.B. Wilson, S. Sulekar, F. Lenahan, P.X.T. Yen, V. Stevanovic, J.C. Nino, M.G. Bawendi, and T. Buonassisi, J. Physical Chemistry Letters 6, 4279 (2015).
R.E. Brandt, V. Stevanovic, D.S. Ginley, and T. Buonassisi, MRS Communications, 5 (2015).
E.M. Miller, Y. Zhao, C.C. Mercado, S.K. Saha, J.M. Luther, K. Zhu, V. Stevanovic, C.L. Perkins, and J. van de Lagemaat, Phys. Chem. Chem. Phys. 16, 22122 (2014).
K. Alberi, M. Buongiorno Nardelli, A. Zakutayev, L. Mitas, S. Curtarolo, A. Jain, M. Fornari, N. Marzari, I. Takeuchi, M. Green, M. Kanatzidis, M.F. Toney, S. Butenko, B. Meredig, S. Lany, U. Kattner, A. Davydov, E.S. Toberer, V. Stevanovic, A. Walsh, N.-G. Park, A. Aspuru-Guzik, D.P. Tabor, J. Nelson, J. Murphy, A. Setlur, J. Gregoire, H. Li, R. Xiao, A. Ludwig, L.W. Martin, A.M. Rappe, S.-H. Wei, and J. Perkins, J. Phys. D: Appl. Phys., 52, 013001 (2018).
A. Zakutayev, N. Wunder, M. Schwarting, J.D. Perkins, R. White, K. Munch, W. Tumas, and C. Phillips, Scientific Data, 5, 180053 (2018).
C.J. Bartel, S.L. Millican, A.M. Deml, J.R. Rumptz, W. Tumas, A.W. Weimer, S. Lany, V. Stevanovic, C.B. Musgrave, and A.M. Holder, Nature Communications, 9, 4168 (2018).
M. Schwarting, S. Siol, K. Talley, A. Zakutayev, and C. Phillips, Materials Discovery, 10, 43 (2017).
Y. Zhang, D.A. Kitchaev, J. Yang, T. Chen, S.T. Dacek, R. Sarmiento-Perez, M.A.L. Marques, H. Peng, G. Ceder, J.P. Perdew, and J. Sun, Computational Materials, 4 (2018).
J. Mangum, L.H. Chan, U. Schmidt, L.M. Garten, D.S. Ginley, and B.P. Gorman, Ultramicroscopy, 188, 48 (2018).
W. Sun and G. Ceder, Surface Science, 669 (2017).
B. Blank, T. Kirchartz, S. Lany, and U. Rau, Physical Review Applied, 8 (2017).
K. Mathew, J.H. Montoya, A. Faghaninia, S. Dwaraknath, M. Aykol, H. Tang, I.-H. Chu, T. Smidt, B. Bocklund, M. Horton, J. Dagdelen, B. Wood, Z.-K. Liu, J. Neaton, S.P. Ong, K.A. Persson, and A. Jain, Computational Materials Science, 139, 140 (2017).
B. Kolb, L.C. Lentz, and A.M. Kolpak, Scientific Reports, 7, 1192 (2017).
A. Goyal, P. Gorai, H. Peng, S. Lany, and V. Stevanovic, Computational Materials Science, 130, 1 (2017).
S. Siol, P. Schulz, M. Young, K.A. Borup, G. Teeter, and A. Zakutayev, Advanced Materials Interfaces, on-line, 1600755 (2016).
M.L. Whittaker, W. Sun, K.A. DeRocher, S. Jayaraman, G. Ceder, and D. Jester, Advanced Functional Materials, 28 (2018).
L.M. Garten, S. Dwaraknath, J. Walker, J.S. Mangum, P.F. Ndione, Y.U. Park, D.A. Beaton, V. Gopalan, B.P. Gorman, L.T. Schelhas, M.F. Toney, S. Trolier-McKinstry, K. Persson, and D.S. Ginley, Advanced Materials, 30, 1800559 (2018).
R. Heasley, L.M. Davis, D. Chua, C.M. Chang, and R.G. Gordon, J. Materials Chem A., in press (2018).
L. Zhou, A. Shinde, S.K. Suram, H.S. Stein, S.R. Bauers, A. Zakutayev, J.S. DuChene, G. Liu, E.A. Peterson, J.B. Neaton, and J.M. Gregoire, ACS Energy Letters, 3, 2769 (2018).
S.B. Kim, A. Jayaraman, D. Chua, L.M. Davis, S.-L. Zheng, X. Zhao, S. Lee, and R.G. Gordon, Chem. Eur. J., 24, 9525 (2018).
J. Feng, X. Gong, X. Lou, and R. Gordon, Applied Materials & Interfaces, 9, 10914 (2017).
M.D. Heinemann, M.F.A.M. van Hest, M. Contreras, J.D. Perkins, A. Zakutayev, C.A. Kaufmann, T. Unold, D.S. Ginley, and J.J. Berry, physica status solidi (a), 1600870 (2017).
Y. Wang, S. Lany, J. Ghangaja, Y. Fagot, Y. P. Chen, F. Soldera, D. Howart, F. Mucklich, and J.F. Pierson, Physical Review B, 94, (2016).
P.F. Ndione, A. Zakutayev, M. Kumar, C.E. Packard, J.J. Berry, J.D. Perkins, and D.S. Ginley, MRS Communications, 6, 360 (2016).
M.J. Young, H.-D. Schnabel, A.M. Holder, S.M. George, and C.B. Musgrave, Advanced Functional Materials, 26, (2016).
H. Zhou, X. Lou, N.J. Conrad, M. Si, H. Wu, S. Alghamdi, S. Guo, R.G. Gordon, and P.D. Ye, IEEE Electron Device Letters, 37 (2016).
E.M. Miller, D.M. Kroupa, J. Zhang, P. Schulz, A.R. Marshall, A. Kahn, S. Lany, J.M. Luther, M.C. Beard, C.L. Perkins, and J. van de Lagemaat, ACS Nano, 10 (2016).
B. Kolb and A.M. Kolpak, Chemistry of Materials, 27, 5899 (2015).
S. Lany, Journal of Physics: Condensed Matter 27, 283203 (2015).

References: V. 
 V. 
 V. 
 V. 

V. 
 V. 

V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V. 
 V.