Adsorption of Acetone on Rutile TiO2: A DFT and FTIRS Study (Englisch)

In: The Journal of Physical Chemistry C   ;  122 ,  34  ;  19481-19490  ;  2018

Wie erhalte ich diesen Titel?

Download Download
Kommerziell Vergütung an den Verlag: 46,10 € Grundgebühr: 4,00 € Gesamtpreis: 50,10 €
Akademisch Vergütung an den Verlag: 46,10 € Grundgebühr: 2,00 € Gesamtpreis: 48,10 €

Inhaltsverzeichnis – Band 122, Ausgabe 34

Zeige alle Jahrgänge und Ausgaben

Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.

19281
Augmenting the Photocurrent of CuWO4 Photoanodes by Heat Treatment in the Nitrogen Atmosphere
Ma, Zili / Linnenberg, Oliver / Rokicinska, Anna / Kustrowski, Piotr / Slabon, Adam | 2018
19289
Real-Time Tracking of Polymer Crystallization Dynamics in Organic Bulk Heterojunctions by Raman Microscopy
Mannanov, Artur A. / Bruevich, Vladimir V. / Feldman, Elizaveta V. / Trukhanov, Vasiliy A. / Pshenichnikov, Maxim S. / Paraschuk, Dmitry Yu. | 2018
19298
Strain-Induced Stabilization of Charged State in Li-Rich Layered Transition-Metal Oxide for Lithium-Ion Batteries
Kawaguchi, Tomoya / Sakaida, Masashi / Oishi, Masatsugu / Ichitsubo, Tetsu / Fukuda, Katsutoshi / Toyoda, Satoshi / Matsubara, Eiichiro | 2018
19309
Thermal Decomposition Mechanism of 2,2′,4,4′,6,6′-Hexanitrostilbene by ReaxFF Reactive Molecular Dynamics Simulations
Chen, Lang / Wang, Heqi / Wang, Fuping / Geng, Deshen / Wu, Junying / Lu, Jianying | 2018
19319
Dimethyl Sulfoxide-Based Electrolytes for High-Current Potassium–Oxygen Batteries
Sankarasubramanian, Shrihari / Ramani, Vijay | 2018
19328
Conjugated Polymers Containing Sulfonic Acid Fluorene Unit for Achieving Multiple Interfacial Modifications in Fullerene-free Organic Solar Cells
Lu, Lili / Kang, Qian / Yang, Chenyi / Xu, Bowei / Hou, Jianhui | 2018
19338
Tuning of Conversion and Optical Emission by Electron Temperature in Inductively Coupled CO2 Plasma
Zhang, Diyu / Huang, Qiang / Devid, Edwin J. / Schuler, Eric / Shiju, N. Raveendran / Rothenberg, Gadi / van Rooij, Gerard / Yang, Ruilong / Liu, Kezhao / Kleyn, Aart W. | 2018
19348
Lateral Intermolecular Electronic Interactions of Diketopyrrolopyrrole D−π–A Solar Dye Sensitizers Adsorbed on Mesoporous Alumina
Bahng, Hee-Won / Hagfeldt, Anders / Moser, Jacques-E. | 2018
19359
Donor Effect on the Photoinduced Interfacial Charge Transfer Dynamics of D−π–A Diketopyrrolopyrrole Dye Sensitizers Adsorbed on Titanium Dioxide
Bahng, Hee-Won / Hagfeldt, Anders / Moser, Jacques-E. | 2018
19370
New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen
Mishra, Ajay K. / Muramatsu, Takaki / Liu, Hanyu / Geballe, Zachary M. / Somayazulu, Maddury / Ahart, Muhtar / Baldini, Maria / Meng, Yue / Zurek, Eva / Hemley, Russell J. | 2018
19379
Gas-Phase Reactions of Carbon Dioxide with Copper Hydride Anions Cu2H2: Temperature-Dependent Transformation
Liu, Yun-Zhu / Jiang, Li-Xue / Li, Xiao-Na / Wang, Li-Na / Chen, Jiao-Jiao / He, Sheng-Gui | 2018
19385
Influence of 4 and 4′ Substituents on RuIII/II Bipyridyl Self-Exchange Electron Transfer Across Nanocrystalline TiO2 Surfaces
Motley, Tyler C. / Brady, Matthew D. / Meyer, Gerald J. | 2018
19395
A Pathway to the Athermal Impact Initiation of Energetic Azides
Michalchuk, Adam A. L. / Fincham, Peter T. / Portius, Peter / Pulham, Colin R. / Morrison, Carole A. | 2018
19409
Solvent and Structural Fluctuations Induced Symmetry-Breaking Charge Transfer in a Porphyrin Triad
Kim, Taeyeon / Kim, Woojae / Mori, Hirotaka / Osuka, Atsuhiro / Kim, Dongho | 2018
19416
Experimental and Computational Investigation of Lanthanide Ion Doping on BiVO4 Photoanodes for Solar Water Splitting
Govindaraju, Gokul V. / Morbec, Juliana M. / Galli, Giulia A. / Choi, Kyoung-Shin | 2018
19425
Physical Insight into the Mechanism of Electromagnetic Shielding in Polymer Nanocomposites Containing Multiwalled Carbon Nanotubes and Inverse-Spinel Ferrites
Biswas, Sourav / Panja, Sujit S. / Bose, Suryasarathi | 2018
19438
Ionic Conduction and Solution Structure in LiPF6 and LiBF4 Propylene Carbonate Electrolytes
Hwang, Sunwook / Kim, Dong-Hui / Shin, Jeong Hee / Jang, Jae Eun / Ahn, Kyoung Ho / Lee, Chulhaeng / Lee, Hochun | 2018
19447
First-Principles Study of Lithium Intercalation and Diffusion in Oxygen-Defective Titanium Dioxide
Yeh, Hsiu-Liang / Tai, Shih-Hsuan / Hsieh, Chieh-Ming / Chang, Bor Kae | 2018
19455
Detection of [Au25(PET)18(O2)n] (n = 1, 2, 3) Species by Mass Spectrometry
Bhat, Shridevi / Narayanan, Raghu Pradeep / Baksi, Ananya / Chakraborty, Papri / Paramasivam, Ganesan / Methikkalam, Rabin Rajan J. / Nag, Abhijit / Natarajan, Ganapati / Pradeep, Thalappil | 2018
19463
CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: A Density Functional Theory Study
Cadi-Essadek, Abdelaziz / Roldan, Alberto / Aparicio-Anglès, Xavier / de Leeuw, Nora H. | 2018
19473
Spontaneous Breaking and Remaking of the RS–Au–SR Staple in Self-assembled Ethylthiolate/Au(111) Interface
Gao, Jianzhi / Li, Fangsen / Zhu, Gangqiang / Yang, Zhibo / Lu, Hongbing / Lin, Haiping / Li, Qing / Li, Youyong / Pan, Minghu / Guo, Quanmin | 2018
19481
Adsorption of Acetone on Rutile TiO2: A DFT and FTIRS Study
Würger, Tim / Heckel, Wolfgang / Sellschopp, Kai / Müller, Stefan / Stierle, Andreas / Wang, Yuemin / Noei, Heshmat / Feldbauer, Gregor | 2018
19491
Electronic Structure of Hexacene and Interface Properties on Au(110)
Grüninger, Peter / Polek, Małgorzata / Ivanović, Milutin / Balle, David / Karstens, Reimer / Nagel, Peter / Merz, Michael / Schuppler, Stefan / Ovsyannikov, Ruslan / Bettinger, Holger F. et al. | 2018
19499
Repassivation Behavior of Individual Grain Facets on Dilute Ni–Cr and Ni–Cr–Mo Alloys in Acidified Chloride Solution
Gusieva, Kateryna / Cwalina, Katie Lutton / Blades, William H. / Ramalingam, Gopalakrishnan / Perepezko, John H. / Reinke, Petra / Scully, John R. | 2018
19514
Mixed Monomolecular Films with Embedded Dipolar Groups on Ag(111)
Sauter, Eric / Gilbert, Charles-Olivier / Morin, Jean-François / Terfort, Andreas / Zharnikov, Michael | 2018
19524
Cu2O–CuO Hollow Nanospheres as a Heterogeneous Catalyst for Synergetic Oxidation of CO
Wei, Bo / Yang, Nating / Pang, Fei / Ge, Jianping | 2018
19532
In-Situ Atomic-Scale Phase Transformation of Mg under Hydrogen Conditions
Peng, Qiuming / Sun, Yong / Ge, Bingcheng / Feng, Jiawen / Guo, Jianxin / Fernandez, Carlos / Huang, Jianyu | 2018
19540
Mixtures of Alcohols and Water confined in Mesoporous Silica: A Combined Solid-State NMR and Molecular Dynamics Simulation Study
Kumari, Bharti / Brodrecht, Martin / Breitzke, Hergen / Werner, Mayke / Grünberg, Bob / Limbach, Hans-Heinrich / Forg, Sandra / Sanjon, Elvira P. / Drossel, Barbara / Gutmann, Torsten et al. | 2018
19551
Comparison Study of Structural Properties and CO Adsorption on the Cu/Au(111) and Au/Cu(111) Thin Films
Wang, Wenyuan / Shi, Hexia / Wang, Li / Li, Zhe / Shi, Hong / Wu, Kai / Shao, Xiang | 2018
19560
Theoretical Insights into the Interaction of Oxygenated Organic Molecules and Cobalt(II) Precursor with γ-Al2O3 Surfaces
Ngouana Wakou, Brice Firmin / Corral Valero, Manuel / Raybaud, Pascal | 2018
19575
Guest–Host Interactions in Mixed CH4–CO2 Hydrates: Insights from Molecular Dynamics Simulations
Cladek, Bernadette R. / Everett, S. Michelle / McDonnell, Marshall T. / Tucker, Matthew G. / Keffer, David J. / Rawn, Claudia J. | 2018
19584
Interaction of HCl with a CeO2(111) Layer Supported on Ru(0001): A Theory and Experiment Combined Study
Sack, C. / Lustemberg, P. / Koller, V. / Ganduglia-Pirovano, M. V. / Over, H. | 2018
19593
DFT+U Study on Catalysis by Co3O4: Influence of U Value and a Surface–Bulk Bi-U Strategy
Hu, Wende / Cao, Xiao-Ming / Hu, P. | 2018
19603
Chemistry of Solvated Electrons in Molten Alkali Chloride Salts
Kristoffersen, Henrik H. / Metiu, Horia | 2018
19613
Development of a ReaxFF Reactive Force Field for NaSiOx/Water Systems and Its Application to Sodium and Proton Self-Diffusion
Hahn, Seung Ho / Rimsza, Jessica / Criscenti, Louise / Sun, Wei / Deng, Lu / Du, Jincheng / Liang, Tao / Sinnott, Susan B. / van Duin, Adri C. T. | 2018
19625
Distinct Differences in Peptide Adsorption on Palladium and Gold: Introducing a Polarizable Model for Pd(111)
Hughes, Zak E. / Walsh, Tiffany R. | 2018
19639
Investigation of the Liquid–Vapor Interface of Water–Formamide Mixtures by Computer Simulation and Intrinsic Surface Analysis
Kiss, Bálint / Fábián, Balázs / Idrissi, Abdenacer / Szőri, Milán / Jedlovszky, Pál | 2018
19652
Incident Angle Dependence of CHD3Dissociation on the Stepped Pt(211) Surface
Chadwick, Helen / Gutiérrez-González, Ana / Migliorini, Davide / Beck, Rainer D. / Kroes, Geert-Jan | 2018
19661
Competition between Itineracy and Localization of Electrons Doped into the Near-Surface Region of Anatase TiO2
Aiura, Yoshihiro / Ozawa, Kenichi / Schwier, Eike F. / Shimada, Kenya / Mase, Kazuhiko | 2018
19670
Influence of Support for Ru and Water Role on Product Selectivity in the Vapor-Phase Hydrogenation of Levulinic Acid to γ-Valerolactone: Investigation by Probe-Adsorbed Fourier Transform Infrared Spectroscopy
Velisoju, Vijay Kumar / Peddakasu, Ganga Bhavani / Gutta, Naresh / Boosa, Venu / Kandula, Manasa / Chary, Komandur V. R. / Akula, Venugopal | 2018
19678
Instability of a Noncrystalline NaO2 Film in Na–O2 Batteries: The Controversial Effect of the RuO2 Catalyst
Fathi Tovini, Mohammad / Hong, Misun / Park, Jiwon / Demirtaş, Merve / Toffoli, Daniele / Ustunel, Hande / Byon, Hye Ryung / Yılmaz, Eda | 2018
19687
Interfacial Behavior of Orthoborate Ionic Liquids at Inorganic Oxide Surfaces Probed by NMR, IR, and Raman Spectroscopy
Shah, Faiz Ullah / Holmgren, Allan / Rutland, Mark W. / Glavatskih, Sergei / Antzutkin, Oleg N. | 2018
19699
Near-Infrared Photothermal Release of siRNA from the Surface of Colloidal Gold–Silver–Gold Core–Shell–Shell Nanoparticles Studied with Second-Harmonic Generation
Kumal, Raju R. / Abu-Laban, Mohammad / Hamal, Prakash / Kruger, Blake / Smith, Holden T. / Hayes, Daniel J. / Haber, Louis H. | 2018
19705
A Combined Theoretical and Experimental Study of CH3NH3PbI3 Containing AVAI Films Prepared via an Intramolecular Exchange Process
Prajongtat, Pongthep / Hannongbua, Supa | 2018
19712
Copper Dimer Supported on a C2N Layer as an Efficient Electrocatalyst for CO2 Reduction Reaction: A Computational Study
Zhao, Jia / Zhao, Jingxiang / Li, Fengyu / Chen, Zhongfang | 2018
19722
Patterning Surfaces through Photografting of Iodonium Salts
Médard, Jérôme / Combellas, Catherine / Kanoufi, Frédéric / Pinson, Jean / Chauvin, Jérôme / Deronzier, Alain | 2018
19731
Developing Distinct Chemical Environments in Ionic Liquid Films
Anaredy, Radhika S. / Shaw, Scott K. | 2018
19738
Surface-Enhanced Raman and Fluorescence Spectroscopy with an All-Dielectric Metasurface
Romano, Silvia / Zito, Gianluigi / Managò, Stefano / Calafiore, Giuseppe / Penzo, Erika / Cabrini, Stefano / De Luca, Anna Chiara / Mocella, Vito | 2018
19746
Thermodynamic Properties, Mössbauer Study, and First-Principles Calculations of TlFe(MoO4)2
Sobolev, A. V. / Kozlyakova, E. S. / Glazkova, I. S. / Morozov, V. A. / Ovchenkov, E. A. / Volkova, O. S. / Vasiliev, A. N. / Ovanesyan, N. S. / Kadyrova, Y. M. / Khaikina, E. G. et al. | 2018
19756
Density Functional Tight Binding for Quantum Plasmonics
D’Agostino, Stefania / Rinaldi, Rosaria / Cuniberti, Gianaurelio / Della Sala, Fabio | 2018
19767
Magnetic Hyperfine Interactions in the Mixed-Valence Compound Fe7(PO4)6 from Mössbauer Experiments
Sobolev, Alexey V. / Akulenko, Alena A. / Glazkova, Iana S. / Belik, Alexei A. / Furubayashi, Takao / Shvanskaya, Larisa V. / Dimitrova, Olga V. / Presniakov, Igor A. | 2018
19777
Optical Properties and Bismuth Redox in Bi-Doped High-Silica Al–Si Glasses
Veber, Alexander / Cicconi, Maria Rita / Puri, Alessandro / de Ligny, Dominique | 2018
19793
Twisted Donor−π–Acceptor Carbazole Luminophores with Substituent-Dependent Properties of Aggregated Behavior (Aggregation-Caused Quenching to Aggregation-Enhanced Emission) and Mechanoresponsive Luminescence
Zhu, Huichao / Chen, Pengfei / Kong, Lin / Tian, Yupeng / Yang, Jiaxiang | 2018
19801
Multilayered Plasmonic Nanostructures for Solar Energy Harvesting
Phan, Anh D. / Le, Nam B. / Lien, Nghiem T. H. / Wakabayashi, Katsunori | 2018
19807
Structure of P2O5–SiO2 Pure Network Former Glasses Studied by Solid State NMR Spectroscopy
de Oliveira, Marcos / Aitken, Bruce / Eckert, Hellmut | 2018
19816
Using Femtosecond Laser Irradiation To Grow the Belly of Gold Nanorods
Díaz-Núñez, Pablo / González-Rubio, Guillermo / Prada, Alejandro / González Izquierdo, Jesús / Rivera, Antonio / Bañares, Luis / Guerrero-Martínez, Andrés / Peña-Rodríguez, Ovidio | 2018
19823
Lighting up Plasmonic Nanostar Colloids for Metal-Enhanced Fluorescence under Two-Photon Near-Infrared Excitation
Zhou, Lixia / Chen, Kuan-Jen / Ramsey, Jacob D. / Almlie, C. Kyle / Burrows, Sean M. | 2018
19831
Plasmon-Enhanced Autocatalytic N-Demethylation
Tesema, Tefera E. / Annesley, Christopher / Habteyes, Terefe G. | 2018
19842
Qualitative Insights into the Transport Properties of Hückel/Möbius (Anti)Aromatic Compounds: Application to Expanded Porphyrins
Stuyver, Thijs / Fias, Stijn / Geerlings, Paul / De Proft, Frank / Alonso, Mercedes | 2018
19857
Structural and Dynamical Properties of Water Confined in Highly Ordered Mesoporous Silica in the Presence of Electrolytes
Baum, Markus / Rébiscoul, Diane / Juranyi, Fanni / Rieutord, Francois | 2018
19869
Principles and Mechanisms of Strain-Dependent Thermal Conductivity of Polycrystalline Graphene with Varying Grain Sizes and Surface Hydrogenation
Wei, Anran / Liu, Qihao / Yao, Haimin / Li, Ye / Li, Yinfeng | 2018
19880
Large Magneto-Current Effect in the Electrochemical Detection of Oxalate in Aqueous Solution
Pan, Haiping / Wang, Mingkui / Shen, Yan / Hu, Bin | 2018
19886
Temperature-Dependent Charge Transport in Polymer-Sorted Semiconducting Carbon Nanotube Networks with Different Diameter Distributions
Brohmann, Maximilian / Rother, Marcel / Schießl, Stefan P. / Preis, Eduard / Allard, Sybille / Scherf, Ullrich / Zaumseil, Jana | 2018
19897
Tailoring the Emission Color of Carbon Dots through Nitrogen-Induced Changes of Their Crystalline Structure
Sciortino, Luisa / Sciortino, Alice / Popescu, Radian / Schneider, Reinhard / Gerthsen, Dagmar / Agnello, Simonpietro / Cannas, Marco / Messina, Fabrizio | 2018
19904
Optoelectronic Properties of Cycloparaphenylene–Carbon Nanotube Based Molecular Architectures
Joshi, Ankita / Ramachandran, C. N. | 2018
19913
Contrasting Role of Defect-Induced Carbon Nanotubes in Electromagnetic Interference Shielding
Manna, Kunal / Srivastava, Suneel Kumar | 2018
19921
Influence of Brookite Impurities on the Raman Spectrum of TiO2 Anatase Nanocrystals
Ceballos-Chuc, M. C. / Ramos-Castillo, C. M. / Alvarado-Gil, J. J. / Oskam, G. / Rodríguez-Gattorno, G. | 2018
19931
Fracture of the Intermolecular Hydrogen Bond Network Structure of Glycerol Modified by Carbon Nanotubes
Yin, Yanchao / Ma, Liran / Wen, Shizhu / Luo, Jianbin | 2018
19937
pH-Controlled Self-Assembly of X-Shaped Conjugated Molecules: The Case of 1,2,4,5-Tetrastyrylbenzene
Domínguez, Rocío / Tolosa, Juan / Moral, Mónica / Bravo, Iván / Canales-Vázquez, Jesús / Rodríguez-López, Julián / Garzón-Ruiz, Andrés / García-Martínez, Joaquín C. | 2018
19946
Photobleaching of Triphenylamine–Phthalocyanine Entails Mixed Valence-State Triggered Self-Assembled Nanospheres
Mrinalini, Madoori / Suman Krishna, Jonnadula Venkata / Krishna, Narra Vamsi / Kotha, Vishal / Panchakarla, Leela S. / Prasanthkumar, Seelam / Giribabu, Lingamallu | 2018
19953
Electroluminescent Mechanism of Thermally Activated Delayed Fluorescence Emitters: Conformational Effect
Lin, Lili / Cai, Lei / Fan, Jianzhong / Wang, Chuan-Kui | 2018
19962
Adsorption Dynamics and Structure of Polycations on Citrate-Coated Gold Nanoparticles
Chong, Gene / Hernandez, Rigoberto | 2018
19970
Raman Spectra and Strain Effects in Bismuth Oxychalcogenides
Cheng, Ting / Tan, Congwei / Zhang, Shuqing / Tu, Teng / Peng, Hailin / Liu, Zhirong | 2018
19981
Oriented Attachment and Nanorod Formation in Atomic Layer Deposition of TiO2on Graphene Nanoplatelets
Grillo, Fabio / La Zara, Damiano / Mulder, Paul / Kreutzer, Michiel T. / Ruud van Ommen, J. | 2018
19992
Ultrafast Laser Pulses Induced Insulator–Metal Transition and Multiple Plasmons in Barium Titanate Quantum Dots
Lin, Jia-He / Zhang, Hong / Zhang, Bo-feng / Zhao, Jimin / Miyamoto, Yoshiyuki / Cheng, Xinlu | 2018
20000
Probing the Structural Evolution and Stabilities of Medium-Sized MoBn0/– Clusters
Li, Peifang / Du, Xindi / Wang, Jing Jing / Lu, Cheng / Chen, Haihua | 2018
20006
Slowing Down Kinetics in Microemulsions for Nanosegregation Control: A Simulation Study
Tojo, Concha / Buceta, David / López-Quintela, M. Arturo | 2018
20019
Engineering Ligand–Metal Charge Transfer States in Cross-Linked Gold Nanoclusters for Greener Luminescent Solar Concentrators with Solid-State Quantum Yields Exceeding 50% and Low Reabsorption Losses
Huang, Hsiu-Ying / Cai, Kun-Bin / Chen, Po-Wen / Lin, Cheng-An J. / Chang, Sheng-Hsiung / Yuan, Chi-Tsu | 2018
20027
Tuning the Photocatalytic Activity of SrTiO3 by Varying the Sr/Ti Ratio: Unusual Effect of Viscosity of the Synthesis Medium
Bantawal, Harsha / Shenoy, U. Sandhya / Bhat, D. Krishna | 2018
20034
Topochemical Polymerization of Phenylacetylene Macrocycles under Pressure
Lapini, Andrea / Fanetti, Samuele / Citroni, Margherita / Bini, Roberto / Gilbert, Charles-Olivier / Rondeau-Gagné, Simon / Morin, Jean-Francois | 2018
20040
Phase Control in Mixed Halide Methylammonium Lead Perovskites Using Silicon Nanotube Templates
Gonzalez-Rodriguez, Roberto / Arad-Vosk, Neta / Sa’ar, Amir / Coffer, Jeffery L. | 2018
20046
Two-Dimensional Organometallic Kondo Lattice with Long-Range Antiferromagnetic Order
Tuerhong, Rouzhaji / Ngassam, Franck / Watanabe, Shinta / Onoe, Jun / Alouani, Mebarek / Bucher, Jean-Pierre | 2018
Issue Publication Information
| 2018
Issue Editorial Masthead
| 2018
Feedback