The Journal of Physical Chemistry C v.115 n.12 2011

ISSN 1932-7447

NANOPARTICLES AND NANOSTRUCTURES

Errors and Error Tolerance in Irreversible Multistep Growth of Nanostructures

Sagi Eppel and Eran Rabani

pp 5181–5198

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp106657a

Sorting of Single-Walled Carbon Nanotubes Based on Metallicity by Selective Precipitation with Polyvinylpyrrolidone

Junluo Feng, Sk. Mahasin Alam, Liang Yu Yan, Chang Ming Li, Zaher Judeh, Yuan Chen, Lain-Jong Li, Kok Hwa Lim, and Mary B. Chan-Park

pp 5199–5206

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp107865m

Hierarchical Assembly of CaMoO₄ Nano-Octahedrons and Their Photoluminescence Properties

Valeria M. Longo, La cio S. Cavalcante, Elaine C. Paris, J lio C. Sczancoski, Paulo S. Pizani, Maximo Siu Li, Juan Andr s, Elson Longo, and Jos  A. Varela

pp 5207–5219

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp1082328

Bi₂O₃−Bi₂WO₆ Composite Microspheres: Hydrothermal Synthesis and Photocatalytic Performances

Ming Ge, Yafei Li, Lu Liu, Zhen Zhou, and Wei Chen

pp 5220–5225

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp108414e

Origin of the Strain Energy Minimum in Imogolite Nanotubes

Sang Uck Lee, Young Cheol Choi, Sang Gil Youm, and Daewon Sohn

pp 5226–5231

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp108629z

Controlled Growth of Multilayer, Few-Layer, and Single-Layer Graphene on Metal Substrates

Yagang Yao, Zhuo Li, Ziyin Lin, Kyoung-Sik Moon, Josh Agar, and Chingping Wong

pp 5232–5238

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp109002p

Fast Growth of High Work Function and High-Quality ZnO Nanorods from an Aqueous Solution

Yang Tang, Jie Chen, Dieter Greiner, Lorenz A , Robert Baier, Jascha Lehmann, Sascha Sadewasser, and Martha Ch. Lux-Steiner

pp 5239–5243

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp109022k

Nucleation−Growth of TiO₂ Nanoparticles Doped with Iron Acetylacetonate

Siteng Tieng, Rabah Azouani, Khay Chhor, and Andrei Kanaev

pp 5244–5250

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp111155v

3D-Tailored Gold Nanoparticles for Light Field Enhancement and Harvesting over Visible-IR Spectral Range

Lorenzo Rosa, Kai Sun, Vygantas Mizeikis, Sven Bauerdick, Lloyd Peto, and Saulius Juodkazis

pp 5251–5256

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp109099m

Transport Properties of Double Quantum Dots Formed by Ferrocene Units

Guiling Zhang, Dong Li, Yan Shang, Hui Zhang, Miao Sun, Bo Liu, and Zesheng Li

pp 5257–5264

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp1092064

Electrochemical Behavior and Magnetic Properties of Vanadium Oxide Nanotubes

Andreia I. Popa, Evgenia Vavilova, Christine T schner, Vladislav Kataev, Bernd B chner, and R diger Klingeler

pp 5265–5270

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp109327x

Elucidation of Electrostatic Interaction between Cationic Dyes and Ag Nanoparticles Generating Enormous SERS Enhancement in Aqueous Solution

Masayuki Futamata, Yingying Yu, and Toru Yajima

pp 5271–5279

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp110146y

Ab Initio Study on the Size and Chirality Effects on the Encapsulation of Tetrafluorotetracyano-p-quinodimethane inside Carbon Nanotubes

Hui Pan, Yong-Wei Zhang, Vivek B. Shenoy, and Huajian Gao

pp 5280–5285

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp109566x

Exciton Polariton Contribution to the Stokes Shift in Colloidal Quantum Dots

Z.-H. Chen, S. Hellstr m, Z.-J. Ning, Z.-Y. Yu, and Y. Fu

pp 5286–5293

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp109608t

Enhanced Protection of Carbon-Encapsulated Magnetic Nickel Nanoparticles through a Sucrose-Based Synthetic Strategy

Maria Paz Fern ndez-Garc a, Pedro Gorria, Marta Sevilla, Mariana P. Proen a, Roberto Boada, Jes s Chaboy, Antonio B. Fuertes, and Jes s A. Blanco

pp 5294–5300

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp109669t

Facile Synthesis of Polysulfoaminoanthraquinone Nanosorbents for Rapid Removal and Ultrasensitive Fluorescent Detection of Heavy Metal Ions

Mei-Rong Huang, Shao-Jun Huang, and Xin-Gui Li

pp 5301–5315

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp1099706

Membrane Pore Formation Induced by Acetylated and Polyethylene Glycol-Conjugated Polyamidoamine Dendrimers

Hwankyu Lee and Ronald G. Larson

pp 5316–5322

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp1100285

Computational Multiscattering of Spherical Multilayered Gold Nanoshells

Changhong Liu and Ben Q. Li

pp 5323–5333

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp110252r

Electronic Structures of Porous Graphene, BN, and BC₂N Sheets with One- and Two-Hydrogen Passivations from First Principles

Yi Ding, Yanli Wang, Siqi Shi, and Weihua Tang

pp 5334–5343

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp110336r

Improved Biosensing Capability with Novel Suspended Nanodisks

Marinus A. Otte, M.-Carmen Est vez, Laura G. Carrascosa, Ana B. Gonz lez-Guerrero, Laura M. Lechuga, and Borja Sep lveda

pp 5344–5351

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp110363a

Au-Functionalized Hematite Hybrid Nanospindles: General Synthesis, Gas Sensing and Catalytic Properties

Jun Zhang, Xianghong Liu, Liwei Wang, Taili Yang, Xianzhi Guo, Shihua Wu, Shurong Wang, and Shoumin Zhang

pp 5352–5357

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp110421v

Scanning Transmission Electron Microscopy Study of the Evolution of Needle-Like Nanostructures in CoFe₂O₄ and NiFe₂O₄ Silica Nanocomposite Aerogels

Gavin Mountjoy, Danilo Loche, Peng Wang, Kasim Sader, and Anna Corrias

pp 5358–5365

Publication Date (Web): March 9, 2011 (Article)

DOI: 10.1021/jp110472d

Enhanced and Stable Field Emission from in Situ Nitrogen-Doped Few-Layered Graphene Nanoflakes

Navneet Soin, Susanta Sinha Roy, Soumyendu Roy, Kiran Shankar Hazra, Devi S. Misra, Teck H. Lim, Crispin J. Hetherington, and James A. McLaughlin

pp 5366–5372

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp110476m

Soft-Landing Deposition of Al₁₇⁻ on a Hydroxyl-Terminated Self-Assembled Monolayer

W. Hunter Woodward, Meaghan M. Blake, Zhixun Luo, Paul S. Weiss, and A. W. Castleman, Jr.

pp 5373–5377

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp110527c

Pressure-Induced Collapse in Double-Walled Carbon Nanotubes: Chemical and Mechanical Screening Effects

A. L. Aguiar, E. B. Barros, R. B. Capaz, A. G. Souza Filho, P. T. C. Freire, J. Mendes Filho, D. Machon, Ch. Caillier, Y. A. Kim, H. Muramatsu, M. Endo, and A. San-Miguel

pp 5378–5384

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp110675e

Monte Carlo Simulation on the Assembly of Nanorods with Anisotropic Interactions

Jianhua Huang and Guanfeng Liu

pp 5385–5391

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp110744v

Effect of Hydrogen Termination on Carbon K-Edge X-ray Absorption Spectra of Nanographene

Zhufeng Hou, Xianlong Wang, Takashi Ikeda, Shen-Feng Huang, Kiyoyuki Terakura, Mauro Boero, Masaharu Oshima, Masa-aki Kakimoto, and Seizo Miyata

pp 5392–5403

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp110879d

Laser Ablation of Silver in Aqueous Solutions of Organic Species: Probing Ag Nanoparticle−Adsorbate Systems Evolution by Surface-Enhanced Raman and Surface Plasmon Extinction Spectra

Karol na  i kov , Blanka Vl kov , Pierre-Yves Turpin, Alain Thorel, and Marek Proch zka

pp 5404–5412

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp110907d

Synthesis of Nanostructured Mesoporous Manganese Oxides with Three-Dimensional Frameworks and Their Application in Supercapacitors

Yu-Ting Wang, An-Hui Lu, Hui-Li Zhang, and Wen-Cui Li

pp 5413–5421

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp110938x

Graphene Dispersion and Exfoliation in Low Boiling Point Solvents

Arlene O’Neill, Umar Khan, Peter N. Nirmalraj, John Boland, and Jonathan N Coleman

pp 5422–5428

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp110942e

Catalytic Activity of Carbon-Supported Pt Nanoelectrocatalysts. Why Reducing the Size of Pt Nanoparticles is Not Always Beneficial

I. N. Leontyev, S. V. Belenov, V. E. Guterman, P. Haghi-Ashtiani, A. P. Shaganov, and B. Dkhil

pp 5429–5434

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp1109477

Optical Enhancement and Structural Properties of a Hybrid Organic−Inorganic Ternary Nanocomposite

Valentina Villari, Antonino Mazzaglia, Mariachiara Trapani, Maria Angela Castriciano, Giovanna de Luca, Andrea Romeo, Luigi Mons  Scolaro, and Norberto Micali

pp 5435–5439

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp110966h

Selective Recognition of 2,4,6-Trichlorophenol by Molecularly Imprinted Polymers Based on Magnetic Halloysite Nanotubes Composites

Jianming Pan, Hang Yao, Longcheng Xu, Hongxiang Ou, Pengwei Huo, XiuXiu Li, and Yongsheng Yan

pp 5440–5449

Publication Date (Web): March 17, 2011 (Article)

DOI: 10.1021/jp111120x

Surface-Enhanced Fluorescence within a Metal Nanoparticle Array: The Role of Solvent and Plasmon Couplings

ngel S nchez-Gonz lez, Stefano Corni, and Benedetta Mennucci

pp 5450–5460

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp111196f

Silver Nanoparticle−Reactive Oxygen Species Interactions: Application of a Charging−Discharging Model

Di He, Adele M. Jones, Shikha Garg, A. Ninh Pham, and T. David Waite

pp 5461–5468

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp111275a

Magnetic and Electron Spin Relaxation Properties of (Gd_xY_1−x)₂O₃ (0 ≤ x ≤ 1) Nanoparticles Synthesized by the Combustion Method. Increased Electron Spin Relaxation Times with Increasing Yttrium Content

H kan Gustafsson, Maria Ahr n, Fredrik S derlind, Jos  M. C rdoba Gallego, Per-Olov K ll, Per Nordblad, Per-Olof Westlund, Kajsa Uvdal, and Maria Engstr m

pp 5469–5477

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp111368t

Stimuli-Responsive Magnetite Nanoparticle Monolayers

Cristina Stefaniu, Munish Chanana, Dayang Wang, Gerald Brezesinski, and Helmuth M hwald

pp 5478–5484

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp111374f

Guided Carbon Nanocapsules for Hydrogen Storage

Mikhail V. Suyetin and Alexander V. Vakhrushev

pp 5485–5491

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp111415q

Multilayered Polypyrrole-Coated Carbon Nanotubes To Improve Functional Stability and Electrical Properties of Neural Electrodes

Hailan Chen, Longhua Guo, Abdul R. Ferhan, and Dong-Hwan Kim

pp 5492–5499

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp111498e

Thermal Evolution of Pt-Rich FePt/Fe₃O₄ Heterodimers Studied Using X-ray Absorption Near-Edge Spectroscopy

S. J. A. Figueroa, S. J. Stewart, T. Rueda, A. Hernando, and P. de la Presa

pp 5500–5508

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp111591p

Immobilization of Ionic Liquids in Layered Compounds via Mechanochemical Intercalation

Hang Hu, Jarett C. Martin, Min Xiao, Cara S. Southworth, Yuezhong Meng, and Luyi Sun

pp 5509–5514

Publication Date (Web): March 3, 2011 (Article)

DOI: 10.1021/jp111646d

Giant Dielectric Permittivity Nanocomposites: Realizing True Potential of Pristine Carbon Nanotubes in Polyvinylidene Fluoride Matrix through an Enhanced Interfacial Interaction

Jin-Kai Yuan, Sheng-Hong Yao, Zhi-Min Dang, Alain Sylvestre, Maxime Genestoux, and Jinbo Bai¹

pp 5515–5521

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp1117163

Novel Zn₂SnO₄ Hierarchical Nanostructures and Their Gas Sensing Properties toward Ethanol

Zhe Chen, Minhua Cao, and Changwen Hu

pp 5522–5529

Publication Date (Web): March 17, 2011 (Article)

DOI: 10.1021/jp111785t

Nanographite Impurities within Carbon Nanotubes are responsible for their Stable and Sensitive Response Toward Electrochemical Oxidation of Phenols

Emma J. E. Stuart and Martin Pumera

pp 5530–5534

Publication Date (Web): March 17, 2011 (Article)

DOI: 10.1021/jp111941s

Properties of PVA/HfO₂ Hybrid Electrospun Fibers and Calcined Inorganic HfO₂ Fibers

Daehwan Cho, Woo Jin Bae, Yong Lak Joo, Christopher K. Ober, and Margaret W. Frey

pp 5535–5544

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp111964f

On the Gelation of Graphene Oxide

Hua Bai, Chun Li, Xiaolin Wang, and Gaoquan Shi

pp 5545–5551

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp1120299

Hemispherical Shell Nanostructures from Metal-Stripped Embossed Alumina on Aluminum Templates

Peter Nielsen, Per Morgen, Adam Cohen Simonsen, and Ole Albrektsen

pp 5552–5560

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp1120349

Surface Functionalization of ZnO Nanorods with C₆₀ Derivatives Carrying Phosphonic Acid Functionalities

Michael Voigt, Martin Klaum nzer, Alexander Ebel, Fabian Werner, Guang Yang, Renata Marczak, Erdmann Spiecker, Dirk M. Guldi, Andreas Hirsch, and Wolfgang Peukert

pp 5561–5565

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp112079u

Self-Assembled Superstructures of Polymer-Grafted Nanoparticles: Effects of Particle Shape and Matrix Polymer

Yung-Lung Lin, Chi-Shiang Chiou, Sanat K. Kumar, Jiang-Jen Lin, Yu-Jane Sheng, and Heng-Kwong Tsao

pp 5566–5577

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp112088x

Plasmonic Enhancement of Nonradiative Charge Carrier Relaxation and Proposed Effects from Enhanced Radiative Electronic Processes in Semiconductor−Gold Core−Shell Nanorod Arrays

Erik C. Dreaden, Svetlana Neretina, Wei Qian, Mostafa A. El-Sayed, Robert A. Hughes, John S. Preston, and Peter Mascher

pp 5578–5583

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp112129k

SURFACES, INTERFACES, CATALYSIS

Interfacial Water at a CO-Predosed Platinum Electrode: A Surface Enhanced Infrared Study with Strong Hydrogen Evolution Reaction Control

Yan-Gang Yan, Bin Peng, Yao-Yue Yang, Wen-Bin Cai, Andreas Bund, and Ulrich Stimming

pp 5584–5592

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp104180n

Influences of Ca Doping and Oxygen Vacancy upon Adsorption of CO on the LaFeO₃ (010) Surface: A First-Principles Study

Lihui Sun, Jifan Hu, Hongwei Qin, Ming Zhao, and Kai Fan

pp 5593–5598

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp107038z

Theoretical Studies on Proton Transfer among a High Density of Acid Groups: Surface of Zirconium Phosphate with Adsorbed Water Molecules

Takaya Ogawa, Hiroshi Ushiyama, Ju-Myeung Lee, Takeo Yamaguchi, and Koichi Yamashita

pp 5599–5606

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp107767d

Nickel Coordination to Lattice Oxygens in Basic LSX, X and Y Sodium Faujasites: A DFT Study

H. Guesmi, D. Costa, D. Berthomieu, and P. Massiani

pp 5607–5618

Publication Date (Web): March 9, 2011 (Article)

DOI: 10.1021/jp108172t

Evolution of an Oxygen Near-Edge X-ray Absorption Fine Structure Transition in the Upper Hubbard Band in α-Fe₂O₃ upon Electrochemical Oxidation

Debajeet K. Bora, Artur Braun, Selma Erat, Ahmad K. Ariffin, Romy L hnert, Kevin Sivula, J rg T pfer, Michael Gr tzel, Recardo Manzke, Thomas Graule, and Edwin C. Constable

pp 5619–5625

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp108230r

Physisorption of Hydrophobic and Hydrophilic 1-Alkyl-3-methylimidazolium Ionic Liquids on the Graphenes

Mohammad Hadi Ghatee and Fatemeh Moosavi

pp 5626–5636

Publication Date (Web): March 9, 2011 (Article)

DOI: 10.1021/jp108537q

CO Adsorption on Noble Metal Clusters: Local Environment Effects

Brian H. Morrow, Daniel E. Resasco, and Alberto Striolo , Marco Buongiorno Nardelli

pp 5637–5647

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp108763f

Study of the TiO to Anatase Transformation by Thermal Oxidation of Ti Film in Air

Chung-Ho Kao, Sung-Wei Yeh, Hsing-Lu Huang, Dershin Gan, and Pouyan Shen

pp 5648–5656

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp109082g

Bi₂O₃, BiVO₄, and Bi₂WO₆: Impact of Surface Properties on Photocatalytic Activity under Visible Light

Tamar Saison, Nicolas Chemin, Corinne Chan ac, Olivier Durupthy, Val rie Ruaux, Laurence Mariey, Fran oise Maug , Patricia Beaunier, and Jean-Pierre Jolivet

pp 5657–5666

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp109134z

Mechanistic Switch between Oxidative (Andrussow) and Nonoxidative (Degussa) Formation of HCN on Pt(111) by Density Functional Theory

Jaime G mez-D az and N ria L pez

pp 5667–5674

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp1093349

Study of Native Defects and Transition-Metal (Mn, Fe, Co, and Ni) Doping in a Zinc-Blende CdS Photocatalyst by DFT and Hybrid DFT Calculations

Jian-Chun Wu, Jianwei Zheng, Ping Wu, and Rong Xu

pp 5675–5682

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp109567c

Photophysical Study of Perylene/TiO₂ and Perylene/ZnO Varying Interfacial Couplings and the Chemical Environment

Antje Neubauer, Jodi M. Szarko, Andreas F. Bartelt, Rainer Eichberger, and Thomas Hannappel

pp 5683–5691

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp109615b

Further Understanding of the Electronic Interactions between N719 Sensitizer and Anatase TiO₂ Films: A Combined X-ray Absorption and X-ray Photoelectron Spectroscopic Study

Kee Eun Lee, Mario A. Gomez, Tom Regier, Yongfeng Hu, and George P. Demopoulos

pp 5692–5707

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp109869z

Adsorption of Dyes on Hierarchical Mesoporous TiO₂ Fibers and Its Enhanced Photocatalytic Properties

Nan Bao, Yuan Li, Zhentao Wei, Guangbin Yin, and Junjian Niu

pp 5708–5719

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp1100939

Incommensurate Crystalline phase of n-Alkane Monolayers on Graphite (0001)

Osamu Endo, Toko Horikoshi, Nobuyuki Katsumata, Keita Otani, Takumi Fujishima, Hiromichi Goto, Kazuhiro Minami, Kouki Akaike, and Hiroyuki Ozaki , Ryouhei Sumii and Kenta Amemiya , Masashi Nakamura , Nobuhiro Kosugi

pp 5720–5725

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp1102143

Metastable Phase of the Au(111) Surface in Electrolyte Revealed by STM and Asymmetric Potential Pulse Perturbation

Yufan He and Eric Borguet

pp 5726–5731

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp110484w

Desorption Kinetics at the Solid/Solution Interface: A Theoretical Description by Statistical Rate Theory for Close-to-Equilibrium Systems

Hadis Bashiri

pp 5732–5739

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp110511z

Experimental (XAS, STEM, TPR, and XPS) and Theoretical (DFT) Characterization of Supported Rhenium Catalysts

Simon R. Bare, Shelly D. Kelly, Fernando D.Vila, Edwin Boldingh, E. Karapetrova, Josh Kas, George E. Mickelson, Frank S. Modica, Ning Yang, and John J. Rehr

pp 5740–5755

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp1105218

Periodic Density Functional Theory Study of Water Adsorption on the α-Quartz (101) Surface

A. V. Bandura, J. D. Kubicki, and J. O. Sofo

pp 5756–5766

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp1106636

Density Functional Theoretical Study of Perfluoropentacene/Noble Metal Interfaces with van der Waals Corrections: Adsorption States and Vacuum Level Shifts

Kenji Toyoda, Ikutaro Hamada, Kyuho Lee, Susumu Yanagisawa, and Yoshitada Morikawa

pp 5767–5772

Publication Date (Web): March 17, 2011 (Article)

DOI: 10.1021/jp1107262

Growth of Ordered Ultrathin Tungsten Oxide Films on Pt(111)

Zhenjun Li, Zhenrong Zhang, Yu Kwon Kim, R. Scott Smith, Falko Netzer, Bruce D. Kay, Roger Rousseau, and Zdenek Dohn lek

pp 5773–5783

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp1108976

Mesostructured Pt/TiO₂ Nanocomposites as Highly Active Photocatalysts for the Photooxidation of Dichloroacetic Acid

Adel A. Ismail and Detlef W. Bahnemann

pp 5784–5791

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp110959b

Electrosynthesis of Neutral H₂O₂ Solution from O₂ and Water at a Mixed Carbon Cathode Using an Exposed Solid-Polymer-Electrolyte Electrolysis Cell

Toru Murayama and Ichiro Yamanaka

pp 5792–5799

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp1109702

Computational Investigation of Coverage-Dependent Behavior on Functionalization of the Semiconductor X (100)-2 × 1 Surface (X = C, Si, and Ge) by Cycloaddition of Transition Metal Oxides

Bao-Zhen Sun, Wen-Kai Chen, and Yi-Jun Xu

pp 5800–5808

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp111045t

Selective Isobutene Oligomerization by Mesoporous MSU-S_BEA Catalysts

Dong Ho Park, Seong-Su Kim, Thomas J. Pinnavaia, Francisco Tzompantzi, Julia Prince, and Jaime S. Valente

pp 5809–5816

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp111642b

Formation of Superoxide Anions on Ceria Nanoparticles by Interaction of Molecular Oxygen with Ce³⁺ Sites

Gloria Preda, Annapaola Migani, Konstantin M. Neyman, Stefan T. Bromley, Francesc Illas, and Gianfranco Pacchioni

pp 5817–5822

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp111147y

Core−Shell Phase Separation and Structural Transformation of Pt₃Sn Alloy Nanoparticles Supported on γ-Al₂O₃ in the Reduction and Oxidation Processes Characterized by In Situ Time-Resolved XAFS

Yohei Uemura, Yasuhiro Inada, Kyoko K. Bando, Takehiko Sasaki, Naoto Kamiuchi, Koichi Eguchi, Akira Yagishita, Masaharu Nomura, Mizuki Tada, and Yasuhiro Iwasawa

pp 5823–5833

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp111286b

Wetting of Intact and Partially Dissociated Water Layer on Ru(0001): a Density Functional Study

Sabri Messaoudi, Adnene Dhouib, Manef Abderrabba, and Christian Minot

pp 5834–5840

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp1113416

Choice of U for DFT+U Calculations for Titanium Oxides

Zhenpeng Hu and Horia Metiu

pp 5841–5845

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp111350u

Why Do Certain Glasses with a High Dissolution Rate Undergo a Low Degree of Corrosion?

C line Cailleteau, Fran ois Devreux, Olivier Spalla, Fr d ric Angeli, and St phane Gin

pp 5846–5855

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp111458f

Au/Rutile Catalysts: Effect of the Activation Atmosphere on the Gold−Support Interaction

Xim Bokhimi, Rodolfo Zanella, Antonio Morales, Viridiana Maturano, and Carlos  ngeles-Ch vez

pp 5856–5862

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp111483v

Enhanced Surface Potential Variation on Nanoprotrusions of GaN Microbelt As a Probe for Humidity Sensing

Prasana Sahoo, Douglas Soares Oliveira, M nica Alonso Cotta, Sandip Dhara, S. Dash, A. K. Tyagi, and Baldev Raj

pp 5863–5867

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp111505m

Structural Transitions of Octanethiol Self-Assembled Monolayers on Gold Nanoplates after Mild Thermal Annealing

Nam-Suk Lee, Dongheun Kim, Hungu Kang, Dae Keun Park, Sang Woo Han, and Jaegeun Noh

pp 5868–5874

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp111506v

Structural Properties of Iron Phtalocyanines on Ag(111): From the Submonolayer to Monolayer Range

S. C. Bobaru, E. Salomon, J.-M. Layet, and T. Angot

pp 5875–5879

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp111715a

Unique Orientation of Organic Epitaxial Thin Films: The Role of Intermolecular Interactions at the Interface and Surface Symmetry

Luisa Raimondo, Massimo Moret, Marcello Campione, Alessandro Borghesi, and Adele Sassella

pp 5880–5885

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp111754r

Impact of Solvent on Photocatalytic Mechanisms: Reactions of Photodesorption Products with Ice Overlayers on the TiO₂(110) Surface

Mingmin Shen and Michael A. Henderson

pp 5886–5893

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp111839j

Optimization of the Catalytic Chemical Vapor Deposition Synthesis of Multiwall Carbon Nanotubes on FeCo(Ni)/SiO₂ Aerogel Catalysts by Statistical Design of Experiments

L szl  Vanyorek, Danilo Loche, Hajnalka Katona, Maria Francesca Casula, Anna Corrias, Zolt n K nya,  kos Kukovecz, and Imre Kiricsi

pp 5894–5902

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp111860x

Catalytic Decomposition of Ba(NO₃)₂ on Pt(111)

Kumudu Mudiyanselage, Jason F. Weaver, and J nos Szanyi

pp 5903–5909

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp111924z

Photoemission and STM Study of the Morphology and Electronic Structure of Benz[a]anthracene on Cu(111) on Mica and on HOPG

K. Manandhar and B. A. Parkinson

pp 5910–5918

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp111975n

ELECTRON TRANSPORT, OPTICAL AND ELECTRONIC DEVICES, HARD MATTER

Direct Electron Transfer of Trametes hirsuta Laccase in a Dual-Layer Architecture of Poly(3,4-ethylenedioxythiophene) Films

Xiaoju Wang, Rose-Marie Latonen, Pia Sj berg-Eerola, Jan-Erik Eriksson, Johan Bobacka, Harry Boer, and Mikael Bergelin

pp 5919–5929

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp1080065

New Dibenzothiophene-Containing Donor−Acceptor Polyimides for High-Performance Memory Device Applications

Cheng-Liang Liu, Tadanori Kurosawa, An-Dih Yu, Tomoya Higashihara, Mitsuru Ueda, and Wen-Chang Chen

pp 5930–5939

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp108737e

Anisotropic Thermal Transport in Organic Molecular Crystals from Nonequilibrium Molecular Dynamics Simulations

Dong Wang, Ling Tang, Mengqiu Long, and Zhigang Shuai

pp 5940–5946

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp108739c

Transient Optoelectronic Analysis of Charge Carrier Losses in a Selenophene/Fullerene Blend Solar Cell

Andrea Maurano, Chris G. Shuttle, Rick Hamilton, Amy M. Ballantyne, Jenny Nelson, Weimin Zhang, Martin Heeney, and James R. Durrant

pp 5947–5957

Publication Date (Web): March 9, 2011 (Article)

DOI: 10.1021/jp109697w

Enhanced Aggregation Emission of Vinyl Polymer Containing Tetraphenylthiophene Pendant Group

Rong-Hong Chien, Chung-Tin Lai, and Jin-Long Hong

pp 5958–5965

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp110629t

Electrochemistry of a C₈₄-C₂(IV)-Modified Electrode in Aqueous Solutions and Its Interaction with Guanine

Lu Liu, Shukuan Wang, Zhiwei Zhu, Meixian Li, and Baoyun Sun

pp 5966–5973

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp112033c

Interactions of Perylene Bisimide in the One-Dimensional Channels of Zeolite L

Michael Busby, Andr  Devaux, Christian Blum, Vinod Subramaniam, Gion Calzaferri, and Luisa De Cola

pp 5974–5988

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp1108625

Electrical and Point Defect Properties of TiO₂ Nanotubes Fabricated by Electrochemical Anodization

Ilie Hanzu, Thierry Djenizian, and Philippe Knauth

pp 5989–5996

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp1111982

Modeling the Deposition of Metal Atoms on a p-Type Organometallic Conductor: Implications for Stability and Electron Transfer

Bhaskar Chilukuri and Thomas R. Cundari

pp 5997–6003

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp111337r

Understanding the Enhancement in Photoelectrochemical Properties of Photocatalytically Prepared TiO₂-Reduced Graphene Oxide Composite

Nicholas J. Bell, Yun Hau Ng, Aijun Du, Hans Coster, Sean C. Smith, and Rose Amal

pp 6004–6009

Publication Date (Web): March 9, 2011 (Article)

DOI: 10.1021/jp1113575

Aggregation-Induced Increase of the Quantum Yield of Electron Injection from Chalcogenorhodamine Dyes to TiO₂

Kacie R. Mulhern, Michael R. Detty, and David F. Watson

pp 6010–6018

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp111438x

Graphene Spin-Valve Device Grown Epitaxially on the Ni(111) Substrate: A First Principles Study

Yeonchoo Cho, Young Cheol Choi, and Kwang S. Kim

pp 6019–6023

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp111504q

Computational Study on Redox-Switchable 2D Second-Order Nonlinear Optical Properties of Push−Pull Mono-tetrathiafulvalene-Bis(Salicylaldiminato) Zn(II) Schiff Base Complexes

Chun-Guang Liu, Xiao-Hui Guan, and Zhong-Min Su

pp 6024–6032

Publication Date (Web): March 14, 2011 (Article)

DOI: 10.1021/jp111797n

Injection Efficiency in Dye-Sensitized Solar Cells within a Two-Band Model

Jinhua Cai, Norifusa Satoh, and Liyuan Han

pp 6033–6039

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp1118579

ENERGY CONVERSION AND STORAGE

Reaction Mechanisms in the Li₃AlH₆/LiBH₄ and Al/LiBH₄ Systems for Reversible Hydrogen Storage. Part 1: H Capacity and Role of Al

Young Joon Choi, Jun Lu, Hong Yong Sohn, and Zhigang Zak Fang

pp 6040–6047

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp109112t

Reaction Mechanisms in the Li₃AlH₆/LiBH₄ and Al/LiBH₄ Systems for Reversible Hydrogen Storage. Part 2: Solid-State NMR Studies

Young Joon Choi, Jun Lu, Hong Yong Sohn, Zhigang Zak Fang, Chul Kim, Robert C. Bowman, Jr., and Son-Jong Hwang

pp 6048–6056

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp109113f

Sulfur/Polythiophene with a Core/Shell Structure: Synthesis and Electrochemical Properties of the Cathode for Rechargeable Lithium Batteries

Feng Wu, Junzheng Chen, Renjie Chen, Shengxian Wu, Li Li, Shi Chen, and Teng Zhao

pp 6057–6063

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp1114724

Elucidating the Time Scale and Geometry of Phosphate and Phosphonate Rotation in Solid Acid Electrolytes Using Multinuclear NMR

Jason W. Traer, Kristen J. Soo, M. Vijayakumar, and Gillian R. Goward

pp 6064–6072

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp1081142

Alternative Oxidants for High-Power Fuel Cells Studied by Rotating Disk Electrode (RDE) Voltammetry at Pt, Au, and Glassy Carbon Electrodes

David A. Finkelstein, Joseph D. Kirtland, Nicolas Da Mota, Abraham D. Stroock, and H ctor D. Abru a

pp 6073–6084

Publication Date (Web): March 10, 2011 (Article)

DOI: 10.1021/jp1082505

Experimental and Theoretical Investigations of Dimethylacetamide (DMAc) as Electrolyte Stabilizing Additive for Lithium Ion Batteries

Mengqing Xu, Liansheng Hao, Yanlin Liu, Weishan Li, Lidan Xing, and Bin Li

pp 6085–6094

Publication Date (Web): March 4, 2011 (Article)

DOI: 10.1021/jp109562u

LiBH₄−Mg(BH₄)₂: A Physical Mixture of Metal Borohydrides as Hydrogen Storage Material

Elisa Gil Bardaj , Zhirong Zhao-Karger, Nancy Boucharat, Angeloclaudio Nale, Michiel J. van Setten, Wiebke Lohstroh, Eva R hm, Michele Catti, and Maximilian Fichtner

pp 6095–6101

Publication Date (Web): March 16, 2011 (Article)

DOI: 10.1021/jp110518s

High-Rate Performances of the Ru-Doped Spinel LiNi_0.5Mn_1.5O₄: Effects of Doping and Particle Size

Hailong Wang, Tai Aik Tan, Ping Yang, Man On Lai, and Li Lu

pp 6102–6110

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp110746w

Effect of Thermoelectric Cooling in Nanoscale Junctions

Yu-Shen Liu, Bailey C. Hsu, and Yu-Chang Chen

pp 6111–6125

Publication Date (Web): March 8, 2011 (Article)

DOI: 10.1021/jp110920q

Cosolvent-Induced Gelation and the Hydrothermal Enhancement of the Crystallinity of Titania−Silica Mixed Oxides for the Photocatalytic Remediation of Organic Pollutants

Harrison S. Kibombo, Dan Zhao, Andra Gonshorowski, Sridhar Budhi, Miles D. Koppang, and Ranjit T. Koodali

pp 6126–6135

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp110988j

Enhanced Hydrogen Storage on Li Functionalized BC₃ Nanotube

Jian Zhou, Qian Wang, Qiang Sun, and Puru Jena

pp 6136–6140

Publication Date (Web): March 9, 2011 (Article)

DOI: 10.1021/jp1110778

Reversing CdS Preparation Order and Its Effects on Photocatalytic Hydrogen Production of CdS/Pt-TiO₂ Hybrids Under Visible Light

Hyunwoong Park, Young Kwang Kim, and Wonyong Choi

pp 6141–6148

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp2015319

Template-Free Hydrothermal Synthesis of ZnIn₂S₄ Floriated Microsphere as an Efficient Photocatalyst for H₂ Production under Visible-Light Irradiation

Bo Chai, Tianyou Peng, Peng Zeng, Xiaohu Zhang, and Xiaojing Liu

pp 6149–6155

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp1112729

Di- and Tri-iodide Reactivity at Illuminated Titanium Dioxide Interfaces

John G. Rowley and Gerald J. Meyer

pp 6156–6161

Publication Date (Web): March 7, 2011 (Article)

DOI: 10.1021/jp1114866

PbS as a Highly Catalytic Counter Electrode for Polysulfide-Based Quantum Dot Solar Cells

Zion Tachan, Menny Shalom, Idan Hod, Sven R hle, Shay Tirosh, and Arie Zaban

pp 6162–6166

Publication Date (Web): March 15, 2011 (Article)

DOI: 10.1021/jp112010m

Reversible Electrochemical Conversion Reaction of Li₂O/CuO Nanocomposites and Their Application as High-Capacity Cathode Materials for Li-Ion Batteries

Ting Li, Xin P. Ai, and Han X. Yang

pp 6167–6174

Publication Date (Web): March 11, 2011 (Article)

DOI: 10.1021/jp112399r