Elucidating Ionic Liquid Environments That Affect the Morphology of TiO~2 Nanocrystals: A DFT+D Study (English)
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In:
JOURNAL OF PHYSICAL CHEMISTRY C
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118
, 40
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23320-23327
;
2014
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ISSN:
- Article (Journal) / Print
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Title:Elucidating Ionic Liquid Environments That Affect the Morphology of TiO~2 Nanocrystals: A DFT+D Study
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Contributors:
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Published in:JOURNAL OF PHYSICAL CHEMISTRY C ; 118, 40 ; 23320-23327
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Publisher:
- New search for: AMERICAN CHEMICAL SOCIETY
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Publication date:2014-01-01
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Size:8 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 541.3
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Classification:
DDC: 541.3 -
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Table of contents – Volume 118, Issue 40
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 22815
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Challenges of and Insights into Acid-Catalyzed Transformations of SugarsCaratzoulas, Stavros / Davis, Mark E. / Gorte, Raymond J. / Gounder, Rajamani / Lobo, Raul F. / Nikolakis, Vladimiros / Sandler, Stanley I. / Snyder, Mark A. / Tsapatsis, Michael / Vlachos, Dionisios G. et al. | 2014
- 22834
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Match the Interfacial Energy Levels between Hole Transport Layer and Donor Polymer To Achieve High Solar Cell PerformanceLu, Luyao / Xu, Tao / Jung, In Hwan / Yu, Luping et al. | 2014
- 22840
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High Aspect Ratio Plasmonic Nanocones for Enhanced Light Absorption in Ultrathin Amorphous Silicon FilmsGusak, V. / Kasemo, B. / Hägglund, C. et al. | 2014
- 22847
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Methane Clathrate Hydrate Nucleation Mechanism by Advanced Molecular SimulationsLauricella, Marco / Meloni, Simone / English, Niall J. / Peters, Baron / Ciccotti, Giovanni et al. | 2014
- 22858
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In Situ Measurement of Energy Level Shifts and Recombination Rates in Subphthalocyanine/C60 Bilayer Solar CellsCredgington, Dan / Liu, Shun-Wei / Nelson, Jenny / Durrant, James R. et al. | 2014
- 22858
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In Situ Measurement of Energy Level Shifts and Recombination Rates in Subphthalocyanine/C~6~0 Bilayer Sotar CellsCredgington, D. / Liu, S.-W. / Nelson, J. / Durrant, J.R. et al. | 2014
- 22865
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Facile Synthesis of MnO2/CNTs Composite for Supercapacitor Electrodes with Long Cycle StabilityLi, Li / Hu, Zhong A. / An, Ning / Yang, Yu Y. / Li, Zhi M. / Wu, Hong Y. et al. | 2014
- 22873
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Effect of the Nature of Cadmium Salts on the Effectiveness of CdS SILAR Deposition and Its Consequences on the Performance of Sensitized Solar CellsSfaelou, Stavroula / Sygellou, Lamprini / Dracopoulos, Vassilios / Travlos, Anastasios / Lianos, Panagiotis et al. | 2014
- 22881
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The Mitigation Effect of Synthetic Polymers on Initiation Reactivity of CL-20: Physical Models and Chemical Pathways of ThermolysisYan, Qi-Long / Zeman, Svatopluk / Sánchez Jiménez, P. E. / Zhang, Tong-Lai / Pérez-Maqueda, L. A. / Elbeih, Ahmed et al. | 2014
- 22896
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Noble-Metal-Free Ni(OH)2‑Modified CdS/Reduced Graphene Oxide Nanocomposite with Enhanced Photocatalytic Activity for Hydrogen Production under Visible Light IrradiationYan, Zhiping / Yu, Xingxing / Han, Ali / Xu, Peng / Du, Pingwu et al. | 2014
- 22896
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Noble-Metal-Free Ni(OH)~2-Modified CdS/Reduced Graphene Oxide Nanocomposite with Enhanced Photocataiytic Activity for Hydrogen Production under Visible Light IrradiationYan, Z. / Yu, X. / Han, A. / Xu, P. / Du, P. et al. | 2014
- 22904
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Beneficial Lattice Strain in Heterogeneously Doped CeriaShen, Weida / Jiang, Jun / Hertz, Joshua L. et al. | 2014
- 22913
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Elucidating Transport-Recombination Mechanisms in Perovskite Solar Cells by Small-Perturbation TechniquesGuillén, Elena / Ramos, F. Javier / Anta, Juan A. / Ahmad, Shahzada et al. | 2014
- 22923
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Highly Efficient Intrinsic Phosphorescence from a σ‑Conjugated Poly(silylene) PolymerKadashchuk, A. / Skryshevski, Yu. / Vakhnin, A. / Toliautas, S. / Sulskus, J. / Augulis, R. / Gulbinas, V. / Nespurek, S. / Genoe, J. / Valkunas, L. et al. | 2014
- 22923
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Highly Efficient Intrinsic Phosphorescence from a sigma -Conjugated Poly(silylene) PolymerKadashchuk, A. / Skryshevski, Y. / Vakhnin, A. / Toliautas, S. / Sulskus, J. / Augulis, R. / Gulbinas, V. / Nespurek, S. / Genoe, J. / Valkunas, L. et al. | 2014
- 22935
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Solid-State NMR Studies of the Photochromic Effects of Thin Films of Oxygen-Containing Yttrium HydrideChandran, C. Vinod / Schreuders, Herman / Dam, Bernard / Janssen, Johannes W. G. / Bart, Jacob / Kentgens, Arno P. M. / van Bentum, P. Jan M. et al. | 2014
- 22943
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Directed Self-Assembly of Poly(3,3‴-dialkylquarterthiophene) Polymer Thin Film: Effect of Annealing TemperaturePandey, Rajiv K. / Singh, Arun Kumar / Prakash, Rajiv et al. | 2014
- 22952
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Room-Temperature Sodium–Sulfur Batteries with Liquid-Phase Sodium Polysulfide Catholytes and Binder-Free Multiwall Carbon Nanotube Fabric ElectrodesYu, Xingwen / Manthiram, Arumugam et al. | 2014
- 22960
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Exploration of the Hydrogen-Bonded Energetic Material Carbohydrazide at High PressuresYan, Tingting / Wang, Kai / Tan, Xiao / Liu, Jing / Liu, Bingbing / Zou, Bo et al. | 2014
- 22968
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Precise Control of Photoinduced Electron Transfer in Alternate Layered Nanostructures of Titanium Oxide–Tungsten OxideMochizuki, Dai / Kumagai, Kozue / Maitani, Masato M. / Suzuki, Eiichi / Wada, Yuji et al. | 2014
- 22975
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Vertically Aligned Carbon Nanotube Arrays on SiC Microplatelets: A High Figure-of-Merit Strategy for Achieving Large Dielectric Constant and Low Loss in Polymer CompositesYuan, Jinkai / Yao, Shenghong / Li, Weilong / Sylvestre, Alain / Bai, Jinbo et al. | 2014
- 22984
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Vacancy-Induced Intramolecular Junctions and Quantum Transport in Metallic Carbon NanotubesZeng, Hui / Zhao, Jun / Leburton, Jean-Pierre / Wei, Jianwei et al. | 2014
- 22991
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Zn2SnO4‑Based Photoelectrodes for Organolead Halide Perovskite Solar CellsOh, Lee Seul / Kim, Dong Hoe / Lee, Jin Ah / Shin, Seong Sik / Lee, Jin-Wook / Park, Ik Jae / Ko, Min Jae / Park, Nam-Gyu / Pyo, Sung Gyu / Hong, Kug Sun et al. | 2014
- 22995
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Effect of Surface Termination on Diamond (100) Surface ElectrochemistryHassan, Mir M. / Larsson, Karin et al. | 2014
- 23003
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Effect of Activation Degree of Resorcinol–Formaldehyde Carbon Gels on Carbon monoxide Tolerance of Platinum–Ruthenium Polymer Electrolyte Fuel Cell Anode CatalystNarischat, Napan / Takeguchi, Tatsuya / Tsuchiya, Takanori / Mori, Takeshi / Ogino, Isao / Mukai, Shin R. / Ueda, Wataru et al. | 2014
- 23011
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Titanium Dioxide Nanoparticle Surface Reactivity with Atmospheric Gases, CO2, SO2, and NO2: Roles of Surface Hydroxyl Groups and Adsorbed Water in the Formation and Stability of Adsorbed ProductsNanayakkara, Charith E. / Larish, Whitney A. / Grassian, Vicki H. et al. | 2014
- 23022
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Can Guest Occupancy in Binary Clathrate Hydrates Be Tuned through Control of the Growth Temperature?Song, Bin / Nguyen, Andrew H. / Molinero, Valeria et al. | 2014
- 23032
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Adsorption Properties of the o‑Al13Co4(100) Surface toward Molecules Involved in the Semihydrogenation of AcetyleneKandaskalov, D. / Fournée, V. / Ledieu, J. / Gaudry, É. et al. | 2014
- 23042
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Cl and DFT Studies of the Adsorption of the Nerve Agent Sarin on SurfacesPapas, B.N. / Petsalakis, I.D. / Theodorakopoulos, G. / Whitten, J.L. et al. | 2014
- 23042
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CI and DFT Studies of the Adsorption of the Nerve Agent Sarin on SurfacesPapas, Brian N. / Petsalakis, Ioannis D. / Theodorakopoulos, Giannoula / Whitten, Jerry L. et al. | 2014
- 23049
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Silicene on Zirconium Carbide (111)Aizawa, Takashi / Suehara, Shigeru / Otani, Shigeki et al. | 2014
- 23058
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Discerning Site Selectivity on Graphene Nanoflakes Using Conceptual Density Functional Theory Based Reactivity DescriptorsNazrulla, Mohammed Azeezulla / Krishnamurty, Sailaja / Phani, K. L. N. et al. | 2014
- 23070
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Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O2 Binding to the DopantChrétien, Steeve / Metiu, Horia et al. | 2014
- 23083
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Structure and Dynamics of the Liquid–Liquid Interface of an Aqueous NaCl Solution with Liquid Carbon Tetrachloride from First-Principles SimulationsChoudhuri, Jyoti Roy / Chandra, Amalendu et al. | 2014
- 23092
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Atomic Force Microscopy and High Resolution Scanning Electron Microscopy Investigation of Zeolite A Crystal Growth. Part 2: In Presence of Organic AdditivesCubillas, Pablo / Gebbie, James T. / Stevens, Sam M. / Blake, Nicola / Umemura, Ayako / Terasaki, Osamu / Anderson, Michael W. et al. | 2014
- 23100
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Bismuth and CO Coadsorption on Platinum NanoparticlesFigueiredo, Marta C. / Melander, Marko / Solla-Gullón, José / Kallio, Tanja / Laasonen, Kari et al. | 2014
- 23111
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Electronic Structure of Self-Assembled Monolayers Modified with Ferrocene on a Gold Surface: Evidence of Electron TunnelingLima, Filipe C. D. A. / Calzolari, Arrigo / Caldas, Marília J. / Iost, Rodrigo M. / Crespilho, Frank N. / Petrilli, Helena M. et al. | 2014
- 23117
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Synthesis, Characterization, and Photocatalytic Properties of SnO2/Rutile TiO2/Anatase TiO2 Heterojunctions Modified by PtZhao, Weirong / Zhang, Meng / Ai, Zhuyu / Yang, Yanan / Xi, Haiping / Shi, Qiaomeng / Xu, Xinhua / Shi, Huixiang et al. | 2014
- 23126
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Coordination Environment of Copper Sites in Cu-CHA Zeolite Investigated by Electron Paramagnetic ResonanceGodiksen, Anita / Stappen, Frederick N. / Vennestrøm, Peter N. R. / Giordanino, Filippo / Rasmussen, Søren Birk / Lundegaard, Lars F. / Mossin, Susanne et al. | 2014
- 23139
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Energy-Level Engineering in Self-Contact Organic Transistors Prepared by Inkjet PrintingKadoya, Tomofumi / Tamura, Sumika / Mori, Takehiko et al. | 2014
- 23147
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Toward Understanding the Mechanism of Phase Transfer Catalysis with Surface Second Harmonic GenerationFita, Piotr et al. | 2014
- 23154
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Hydrogen and Hydrogen Peroxide Formation in Trifluorotoluene–Water Biphasic SystemsAdamiak, Wojciech / Jedraszko, Justyna / Krysiak, Olga / Nogala, Wojciech / Hidalgo-Acosta, Jonnathan C. / Girault, Hubert H. / Opallo, Marcin et al. | 2014
- 23162
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Theoretical Insights into the Mechanism of Water Oxidation on Nonstoichiometric and Titanium-Doped Fe2O3(0001)Toroker, Maytal Caspary et al. | 2014
- 23168
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(2n x 1) Reconstructions of TiO~2(011) Revealed by Noncontact Atomic Force Microscopy and Scanning Tunneling MicroscopyPang, C.L. / Yurtsever, A. / Onoda, J. / Sugimoto, Y. / Thornton, G. et al. | 2014
- 23168
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(2n × 1) Reconstructions of TiO2(011) Revealed by Noncontact Atomic Force Microscopy and Scanning Tunneling MicroscopyPang, Chi Lun / Yurtsever, Ayhan / Onoda, Jo / Sugimoto, Yoshiaki / Thornton, Geoff et al. | 2014
- 23175
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Impact of Spontaneously Adsorbed Hydroxide Ions on Emulsification via Solvent ShiftingMa, Aijing / Xu, Jie / Xu, Haolan et al. | 2014
- 23181
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Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)Chen, Long / Li, Zhenjun / Smith, R. Scott / Kay, Bruce D. / Dohnálek, Zdenek et al. | 2014
- 23189
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Isostructural Second-Order Phase Transition of β‑Bi2O3 at High Pressures: An Experimental and Theoretical StudyPereira, A. L. J. / Sans, J. A. / Vilaplana, R. / Gomis, O. / Manjón, F. J. / Rodríguez-Hernández, P. / Muñoz, A. / Popescu, C. / Beltrán, A. et al. | 2014
- 23189
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Isostructural Second-Order Phase Transition of beta -Bi~2O~3 at High Pressures: An Experimental and Theoretical StudyPereira, A.L.J. / Sans, J.A. / Vilaplana, R. / Gomis, O. / Manjon, F.J. / Rodriguez-Hernandez, P. / Munoz, A. / Popescu, C. / Beltran, A. et al. | 2014
- 23202
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Crystal Structures of Heavily Na-Loaded Low-Silica X (LSX) Zeolites in Insulating and Metallic StatesIkeda, Takuji / Nakano, Takehito / Nozue, Yasuo et al. | 2014
- 23212
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Dynamics and Wettability of Oil and Water in Oil ShalesKorb, Jean-Pierre / Nicot, Benjamin / Louis-Joseph, A. / Bubici, Salvatore / Ferrante, Gianni et al. | 2014
- 23219
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Optical Properties of Bilayer Graphene NanoflakesDe Corato, Marzio / Cocchi, Caterina / Prezzi, Deborah / Caldas, Marilia J. / Molinari, Elisa / Ruini, Alice et al. | 2014
- 23226
-
Influence of Oxygen Plasma on the Growth, Structure, Morphology, and Electro-Optical Properties of p‑Type Transparent Conducting CuBr Thin FilmsVijayaraghavan, Rajani K / McCoy, Anthony P. / Chauhan, Lalit / Cowley, Aidan / Morris, Richard J. H. / Daniels, Stephen / McNally, Patrick J. et al. | 2014
- 23233
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Influence of Different Diimine (NˆN) Ligands on the Photophysics and Reverse Saturable Absorption of Heteroleptic Cationic Iridium(III) Complexes Bearing Cyclometalating 2-{3-[7-{Benzothiazol-2-yl)fluoren-2-yl]phenyi}pyridine (CˆN) LigandsLiu, R. / Dandu, N. / Chen, J. / Li, Y. / Li, Z. / Liu, S. / Wang, C. / Kilina, S. / Kohler, B. / Sun, W. et al. | 2014
- 23233
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Influence of Different Diimine (N∧N) Ligands on the Photophysics and Reverse Saturable Absorption of Heteroleptic Cationic Iridium(III) Complexes Bearing Cyclometalating 2‑{3-[7-(Benzothiazol-2-yl)fluoren-2-yl]phenyl}pyridine (C∧N) LigandsLiu, Rui / Dandu, Naveen / Chen, Jinquan / Li, Yuhao / Li, Zhongjing / Liu, Shan / Wang, Chengzhe / Kilina, Svetlana / Kohler, Bern / Sun, Wenfang et al. | 2014
- 23247
-
Angular Dependence of Cathodoluminescence of Linear and Circular Au Gratings: Imaging the Coupling Angles between Surface Plasmon Polaritons and LightMa, X. / Grüßer, M. / Schuster, R. et al. | 2014
- 23256
-
Synthesis and Characterization of Chemically Pure Nanometer-Thin Zero-Valent Iron Films and Their SurfacesFaurie-Wisniewski, Danielle / Geiger, Franz M. et al. | 2014
- 23264
-
Optical Properties of Ordered Self-Assembled Nanoparticle Arrays at InterfacesPaget, Jack / Walpole, Victoria / Blancafort Jorquera, Miquel / Edel, Joshua B. / Urbakh, Michael / Kornyshev, Alexei A. / Demetriadou, Angela et al. | 2014
- 23274
-
Pressure-Induced Valence Change and Semiconductor–Metal Transition in PbCrO3Wu, Min / Zheng, Lirong / Chu, Shengqi / Qin, Zhenxing / Chen, Xiao-Jia / Lin, Chuanlong / Tang, Zheng / Hu, Tiandou et al. | 2014
- 23279
-
High-Modulation-Depth Surface Relief Gratings Using s–s Polarization Configuration in Supramolecular Polymer–Azobenzene ComplexesSobolewska, A. / Bartkiewicz, S. / Priimagi, A. et al. | 2014
- 23285
-
Investigating Relationships between the Crystal Structure and 31P Isotropic Chemical Shifts in Calcined AluminophosphatesDawson, Daniel M. / Ashbrook, Sharon E. et al. | 2014
- 23297
-
Effect of Al/Ga Substitution on Photoluminescence and Phosphorescence Properties of Garnet-Type Y3Sc2Ga3–x Al x O12:Ce3+ PhosphorLuo, Yi / Xia, Zhiguo et al. | 2014
- 23306
-
Area-Selective ALD of TiO2 Nanolines with Electron-Beam LithographyHuang, Jie / Lee, Mingun / Lucero, Antonio / Cheng, Lanxia / Kim, Jiyoung et al. | 2014
- 23313
-
Unravelling the Size and Temperature Dependence of Exciton Lifetimes in Colloidal ZnSe Quantum DotsEilers, Joren / van Hest, Jacobine / Meijerink, Andries / Donega, Celso de Mello et al. | 2014
- 23320
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Elucidating Ionic Liquid Environments That Affect the Morphology of TiO2 Nanocrystals: A DFT+D StudyQi, Kezhen / Li, Di / Fu, Jiaqi / Zhu, Lianjie / Duan, Xiaochuan / Qin, Qing / Wang, Guichang / Zheng, Wenjun et al. | 2014
- 23328
-
First-Principles Analysis of Corrugations, Elastic Constants, and Electronic Properties in Strained Graphyne NanoribbonsWang, Rui-Ning / Zheng, Xiao-Hong / Hao, Hua / Zeng, Zhi et al. | 2014
- 23335
-
Size and Surface Effects of Ce-Doped NiO and Co3O4 Nanostructures on Ferromagnetism Behavior Prepared by the Microwave RouteAnandha babu, Ganesan / Ravi, Ganesan / Mahalingam, Thaiyan / Navaneethan, Mani / Arivanandhan, Mukkannan / Hayakawa, Yasuhiro et al. | 2014
- 23349
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High-Resolution Spectroscopy of Europium-Doped Ceria as a Tool To Correlate Structure and Catalytic ActivityPrimus, Philipp-Alexander / Ritschel, Thomas / Sigüenza, Pilar Y. / Cauqui, Miguel A. / Hernández-Garrido, Juan C. / Kumke, Michael U. et al. | 2014
- 23361
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Large Enhancement and Tunable Band Gap in Silicene by Small Organic Molecule AdsorptionKaloni, Thaneshwor P. / Schreckenbach, Georg / Freund, Michael S. et al. | 2014
- 23368
-
Permanganate-Route-Prepared Electrochemically Reduced Graphene Oxides Exhibit Limited Anodic Potential WindowLim, Chee Shan / Chua, Chun Kiang / Pumera, Martin et al. | 2014
- 23376
-
Structural Changes Observed during the Reversible Hydrogenation of Mg(BH4)2 with Ni-Based AdditivesSaldan, I. / Hino, S. / Humphries, T. D. / Zavorotynska, O. / Chong, M. / Jensen, C. M. / Deledda, S. / Hauback, B. C. et al. | 2014
- 23385
-
Tailoring the Properties of Atomic Layer Deposited Nickel and Nickel Carbide Thin Films via Chain-Length Control of the Alcohol Reducing AgentsSarr, Mouhamadou / Bahlawane, Naoufal / Arl, Didier / Dossot, Manuel / McRae, Edward / Lenoble, Damien et al. | 2014
- 23393
-
Mechanism and Kinetics of J‑Aggregation of Thiacyanine Dye in the Presence of Silver NanoparticlesLaban, Bojana / Vodnik, Vesna / Dramićanin, Miroslav / Novaković, Mirjana / Bibić, Nataša / Sovilj, Sofija P. / Vasić, Vesna M. et al. | 2014
- 23402
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Pressure-Collapsed Amorphous Mg(BH4)2: An Ultradense Complex Hydride Showing a Reversible Transition to the Porous FrameworkBan, Voraksmy / Soloninin, Alexei V. / Skripov, Alexander V. / Hadermann, Joke / Abakumov, Artem / Filinchuk, Yaroslav et al. | 2014
- 23409
-
Synthesis and Characterization of Cu x S (x = 1–2) Nanocrystals Formed by the Langmuir–Blodgett TechniqueYeryukov, Nikolay A. / Milekhin, Alexander G. / Sveshnikova, Larisa L. / Duda, Tatyana A. / Pokrovsky, Lev D. / Gutakovskii, Anton K. / Batsanov, Stepan A. / Rodyakina, Ekaterina E. / Latyshev, Alexander V. / Zahn, Dietrich R.T. et al. | 2014
- 23409
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Synthesis and Characterization of Cu,S (x = 1-2) Nanocrystals Formed by the Langmuir-Blodgett TechniqueYeryukov, N.A. / Milekhin, A.G. / Sveshnikova, L.L. / Duda, T.A. / Pokrovsky, L.D. / Gutakovskii, A.K. / Batsanov, S.A. / Rodyakina, E.E. / Latyshev, A.V. / Zahn, D.R.T. et al. | 2014
- 23415
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Surface Modifications of Detonation Nanodiamonds Probed by Multiwavelength Raman SpectroscopyMermoux, Michel / Crisci, Alexandre / Petit, Tristan / Girard, Hugues A. / Arnault, Jean-Charles et al. | 2014
- 23426
-
Time-Resolved Study of the Surface-Enhanced Raman Scattering Effect of Silver Nanoparticles Generated in Voltammetry Experiments.Ibañez, D. / Fernandez-Blanco, C. / Heras, A. / Colina, A. et al. | 2014
- 23434
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Surface Engineering for Controlled Nanocatalysis: Key Dynamical Events from Ultrafast Electronic SpectroscopyGoswami, Nirmal / Chaudhuri, Siddhi / Giri, Anupam / Lemmens, Peter / Pal, Samir Kumar et al. | 2014