Section: Publications

2013 Publications

A grand canonical genetic algorithm for the prediction of multi-component phase diagrams and testing of empirical potentials
WW Tipton and RG Hennig
Journal of Physics: Condensed Matter, 25(49), 495401 (14 pages), 2013
DOI: 10.1088/0953-8984/25/49/495401]

Energy in the Age of Sustainability
HD Abruña
Journal of Chemical Education, 90(11), pp 1411-1413, 2013
DOI: 10.1021/ed400673m

β-Ketoenamine-Linked Covalent Organic Frameworks Capable of Pseudocapacitive Energy Storage
CR DeBlase, KE Silberstein, T-T Truong, HD Abruña, and WR Dichtel
Journal of the American Chemical Society, 135(45), pp 16821-16824, 2013
DOI: 10.1021/ja409421d

Facile synthesis and application of a carbon foam with large mesopores
L Fu, G Qi, R Sahore, R Sougrat, FJ DiSalvo and EP Giannelis
Physical Chemistry Chemical Physics, 15(44), 19134-19137, 2013
DOI: 10.1039/C3CP53246A

Nano-structured ternary niobium titanium nitrides as durable non-carbon supports for oxygen reduction reaction
M Yang, AR Van Wassen, R Guarecuco, HD Abruña and FJ DiSalvo
Chemical Communications, 49, 10853-10855, 2013
DOI: 10.1039/C3CC45732J

Yolk-Shell Structure of Polyaniline-Coated Sulfur for Lithium-Sulfur Batteries
W Zhou, Y Yu, H Chen, FJ DiSalvo, and HD Abruña
Journal of the American Chemical Society, 135(44), pp 16736-16743, 2013
DOI: 10.1021/ja409508q

The importance of nonlinear fluid response in joint density-functional theory studies of battery systems
D Gunceler, K Letchworth-Weaver, R Sundararaman, KA Schwarz and TA Arias
Modeling and Simulation in Material Science and Engineering, 21(7), 074005 (18 pages), 2013
DOI: 10.1088/0965-0393/21/7/074005

Increasing the Gravimetric Energy Density of Organic Based Secondary Battery Cathodes Using Small Radius Cations (Li+ and Mg2+)
K Hernández-Burgos, GG Rodríguez-Calero, W Zhou, SE Burkhardt, and HD Abruña
Journal of the American Chemical Society, 135(39), pp 14532-14535, 2013
DOI: 10.1021/ja407273c

Nature of the Metal Insulator Transition in Ultrathin Epitaxial Vanadium Dioxide
NF Quackenbush, JW Tashman, JA Mundy, S Sallis, H Paik, R Misra, JA Moyer, J-H Guo, DA Fischer, JC Woicik, DA Muller, DG Schlom, and LFJ Piper
Nano Letters, 13(10), pp 4857-4861, 2013
DOI: 10.1021/nl402716d

Adsorption-controlled growth of BiVO4 by molecular-beam epitaxy
S Stoughton, M Showak, Q Mao, P Koirala, DA Hillsberry, S Sallis, LF Kourkoutis, K Nguyen, LFJ Piper, DA Tenne, NJ Podraza, DA Muller, C Adamo and DG Schlom
APL Materials, 1(4), pp 042112 (8 pages), 2013
DOI: 10.1063/1.4824041

Amylopectin Wrapped Graphene Oxide/Sulfur for Improved Cyclability of Lithium-Sulfur Battery
W Zhou , H Chen , Y Yu , D Wang , Z Cui , FJ DiSalvo , and HD Abruña
ACS Nano, 2013, 7(10), pp 8801-8808
DOI: 10.1021/nn403237b

Synthesis and Properties of Electrically Conductive, Ductile, Extremely Long (50 μm) Nanosheets of KxCoO2·yH2O
M Aksit, BC Hoselton, HJ Kim, D-H Ha, and RD Robinson
ACS Applied Materials & Interfaces, 2013, 5(18), pp 8998-9007
DOI: 10.1021/am402064g

Mesoporous Ti0.5Nb0.5N Ternary Nitride as a Novel Noncarbon Support for Oxygen Reduction Reaction in Acid and Alkaline Electrolytes
Z Cui, RG Burns, and FJ DiSalvo
Chemistry of Materials, 2013, 25(19), pp 3782-3784
DOI: 10.1021/cm4027545

(NH4)2S, a highly reactive molecular precursor for low temperature anion exchange reactions in nanoparticles
H Zhang, LV Solomon, D-H Ha, S Honrao, RG Hennig and RD Robinson
Dalton Transactions, 42(35), pp 12596-12599, 2013
DOI: 10.1039/C3DT50803J

Mo2N/C hybrid material as a promising support for the electro-oxidation of methanol and formic acid
Z Cui, M Yang, and FJ DiSalvo
Electrochemistry Communications, 33, pp 63-67, 2013
DOI:  10.1016/j.elecom.2013.04.017

In Situ Electron Energy-Loss Spectroscopy in Liquids
ME Holtz, Y Yu, J Gao, HD Abruña and DA Muller
Microscopy and Microanalysis 19(4), pp 1027-1035, 2013
DOI: 10.1017/S1431927613001505

In Situ Electron Microscopy and Spectroscopy of Battery Materials
ME Holtz, Y Yu, J Gao, HD Abruña, DA Muller
Microscopy and Microanalysis, 19(Suppl 2), pp 1478-1479, 2013
DOI: 10.1017/S1431927613009380

Understanding Pt-Co Catalyst Degradation Mechanism: from Ex-situ to In-situ
Y Yu, ME Holtz, HL Xin, D Wang, HD Abruña, DA Muller
Microscopy and Microanalysis, 19(Suppl S2), pp 1666-1667, 2013
DOI: 10.1017/S1431927613010325

The Oxidation of Cobalt Nanoparticles into Kirkendall-Hollowed CoO and Co3O4: The Diffusion Mechanisms and Atomic Structural Transformations
D-H Ha, LM Moreau, SHonrao, RG Hennig, and RD Robinson
Journal of Physical Chemistry C, 2013, 117(27), pp 14303-14312
DOI: 10.1021/jp402939e

High-rate electrochemical energy storage through Li+ intercalation pseudocapacitance
V Augustyn, J Come, MA Lowe, JW Kim, P-L Taberna, SH Tolbert, HD Abruña, P Simon and B Dunn
Nature Materials, 12(6), pp 518-522, 2013
DOI: 10.1038/nmat3601

A facile approach for the synthesis of monolithic hierarchical porous carbons - high performance materials for amine based CO2 capture and supercapacitor electrode
L Estevez, R Dua, N Bhandaria, A Ramanujapurama, P Wang and EP Giannelis
Energy & Environmental Science, 2013, 6, pp 1785-1790
DOI: 10.1039/C3EE40549D

Accuracy of exchange-correlation functionals and effect of solvation on the surface energy of copper
M Fishman, HL Zhuang, K Mathew, W Dirschka, and RG Hennig
Phys. Rev. B, 87(24), 245402 (7 pages), 2013
DOI: 10.1103/PhysRevB.87.245402

Defining Crystalline/Amorphous Phases of Nanoparticles through X-ray Absorption Spectroscopy and X-ray Diffraction: The Case of Nickel Phosphide
LM Moreau, D-H Ha, H Zhang, R Hovden, DA Muller, and RD Robinson
Chemistry of Materials, 2013, 25(12), pp 2394-2403
DOI: 10.1021/cm303490y

Mesoporous silicon@carbon composites via nanoparticle-seeded dispersion polymerization and their application as lithium-ion battery anode materials
J Guo,  Z Yang and LA Archer
Journal of Materials Chemistry A, 2013, 1, pp 5709-5714
DOI: 10.1039/C3TA01272G

Structures, phase stabilities, and electrical potentials of Li-Si battery anode materials
WW Tipton, CR Bealing, K Mathew, and RG Hennig
Physical Review B, 87(18), pp 184114 (7 pages), 2013
DOI: 10.1103/PhysRevB.87.184114

The Li-CO2 battery: a novel method for CO2 capture and utilization
S Xu, SK Das and LA Archer
Royal Society of Chemistry Advances, 2013, 3(18), pp 6656-6660
DOI: 10.1039/C3RA40394G

Coalescence in the Thermal Annealing of Nanoparticles: An in Situ STEM Study of the Growth Mechanisms of Ordered Pt-Fe Nanoparticles in a KCl Matrix
Hao Chen, Yingchao Yu, Huolin L. Xin, Kathryn A. Newton, Megan E. Holtz, Deli Wang, David A. Muller, Héctor D. Abruña, and Francis J. DiSalvo
Chemistry of Materials, 2013, 25(8), pp 1436-1442
DOI: 10.1021/cm303489z

Design and operation of a microfabricated phonon spectrometer utilizing superconducting tunnel junctions as phonon transducers
OO Otelaja, JB Hertzberg, M Aksit and RD Robinson
New Journal of Physics, 15, pp 043018 (29 pages), 2013
DOI: 10.1088/1367-2630/15/4/043018

Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems
R Sundararaman and TA Arias
Physical Review B, 2013, 87, 165122-165135
DOI: 10.1103/PhysRevB.87.165122

Infiltrating sulfur in hierarchical architecture MWCNT@meso C core-shell nanocomposites for lithium-sulfur batteries
D Wang, Y Yu, W Zhou, H Chen, FJ. DiSalvo, DA Muller and HD Abruña
Physical Chemistry Chemical Physics, 2013, 15, pp 9051-9057
DOI: 10.1039/C3CP51551F

Effect of reduced dimensionality on the optical band gap of SrTiO3
C-H Lee, NJ Podraza, Y Zhu, RF Berger, S Shen, M Sestak, RW Collins, LF Kourkoutis, JA Mundy, H Wang, Q Mao, X Xi, LJ Brillson, JB Neaton, DA Muller, and DG Schlom
Applied Physics Letters, 102, 122901-5, 2013
DOI: 10.1063/1.4798241

Interdispersed Silicon-Carbon nanocomposites and their application as anode materials for lithium ion batteries
Z Yang, J Guo, S Xu, Y Yu, HD Abruña and LA Archer
Electrochemistry Communications, 28, pp 40-43, 2013
DOI: 10.1016/j.elecom.2012.11.032

Carbon dioxide assist for non-aqueous sodium-oxygen batteries
SK Das, S Xu and LA Archer
Electrochemistry Communications, 27, pp 59-62, 2013
DOI: 10.1016/j.elecom.2012.10.036

In operando X-ray studies of the conversion reaction in Mn3O4 lithium battery anodes
MA Lowe,  J Gao and HD Abruña
Journal of Materials Chemistry A, Advance Article, 2013
DOI: 10.1039/C2TA01270G

An exchangeable-tip scanning probe instrument for the analysis of combinatorial libraries of electrocatalysts
ED Rus, H Wang, AE Legard, NL Ritzert, RB Van Dover, and HD Abruña
Review of Scientific Instruments, 2013, 84(2), 024101-8
DOI: 10.1063/1.4776199

Li-Carboxylate Anode Structure-Property Relationships from Molecular Modeling
SE Burkhardt, J Bois, J-M Tarascon, RG Hennig, and HD Abruña
Chemistry of Materials, 2013, 25(2), pp 132-141
DOI: 10.1021/cm302839z

Designing conducting polymer films for electrochemical energy storage technologies
S Conte,  GG Rodríguez-Calero,  SE Burkhardt,  MA Lowe and HD Abruña
RSC Advances, Advance Article, 2013
DOI: 10.1039/C2RA22963C

Lithium-Sulfur Battery Cathode Enabled by Lithium-Nitrile Interaction
J Guo, Z Yang, Y Yu, HD Abruña and LA Archer
Journal of the American Chemical Society, 2013, 135(2), pp 763-767
DOI: 10.1021/ja309435f

Structurally ordered intermetallic platinum-cobalt core-shell nanoparticles with enhanced activity and stability as oxygen reduction electrocatalysts
D Wang, HL Xin, R Hovden,  H Wang, Y Yu, DA Muller, FJ DiSalvo and HD Abruña
Nature Materials,12, pp 81-87, 2013
DOI: 10.1038/nmat3458

Mesoporous titanium nitride supported Pt nanoparticles as high performance catalysts for methanol electrooxidation
M Yang, Z Cui and FJ DiSalvo
Physical Chemistry Chemical Physics, 2013, 15, pp 1088-1092
DOI: 10.1039/C2CP44215A

In-situ synthesis of lithium sulfide-carbon camposites as cathode materials for rechargeable lithium batteries
Z Yang ,  J Guo ,  SK. Das ,  Y Yu ,  Z Zhou ,  HD Abruña and LA Archer
Journal of Materials Chemistry A, 1(4), pp 1433-1440, 2013
DOI: 10.1039/C2TA00779G