Adsorption of formic acid on rutile TiO2 (110) revisited: An infrared reflection-absorption spectroscopy and density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.4855176 ◽

2014 ◽

Vol 140 (3) ◽

pp. 034705 ◽

Author(s):

A. Mattsson ◽

Shuanglin Hu ◽

K. Hermansson ◽

L. Österlund

Keyword(s):

Density Functional Theory ◽

Formic Acid ◽

Absorption Spectroscopy ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Rutile Tio2 ◽

Infrared Reflection Absorption Spectroscopy ◽

Infrared Reflection

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SO2 adsorption on rutile TiO2(110): An infrared reflection-absorption spectroscopy and density functional theory study

Surface Science ◽

10.1016/j.susc.2018.05.016 ◽

2018 ◽

Vol 677 ◽

pp. 46-51 ◽

Author(s):

David Langhammer ◽

Jolla Kullgren ◽

Pavlin Mitev ◽

Lars Österlund

Keyword(s):

Density Functional Theory ◽

Absorption Spectroscopy ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Rutile Tio2 ◽

Infrared Reflection Absorption Spectroscopy ◽

So2 Adsorption ◽

Infrared Reflection

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Ethanol Electro-oxidation on Palladium Revisited Using Polarization Modulation Infrared Reflection Absorption Spectroscopy (PM-IRRAS) and Density Functional Theory (DFT): Why Is It Difficult To Break the C–C Bond?

ACS Catalysis ◽

10.1021/acscatal.6b00289 ◽

2016 ◽

Vol 6 (8) ◽

pp. 4894-4906 ◽

Author(s):

Evans A. Monyoncho ◽

Stephan N. Steinmann ◽

Carine Michel ◽

Elena A. Baranova ◽

Tom K. Woo ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectroscopy ◽

Density Functional ◽

Polarization Modulation ◽

Functional Theory ◽

Infrared Reflection Absorption Spectroscopy ◽

Infrared Reflection ◽

Electro Oxidation

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Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection–Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies

The Journal of Physical Chemistry C ◽

10.1021/jp506637v ◽

2014 ◽

Vol 118 (48) ◽

pp. 27833-27842 ◽

Author(s):

Karl-Heinz Dostert ◽

Casey P. O’Brien ◽

Wiebke Riedel ◽

Aditya Savara ◽

Wei Liu ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Absorption Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Infrared Reflection Absorption Spectroscopy ◽

Absorption Fine ◽

Infrared Reflection ◽

X Ray Absorption

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Adsorption of isophorone and trimethyl-cyclohexanone on Pd(111): A combination of infrared reflection absorption spectroscopy and density functional theory studies

Surface Science ◽

10.1016/j.susc.2016.01.026 ◽

2016 ◽

Vol 650 ◽

pp. 149-160 ◽

Author(s):

Karl-Heinz Dostert ◽

Casey P. O'Brien ◽

Wei Liu ◽

Wiebke Riedel ◽

Aditya Savara ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Infrared Reflection Absorption Spectroscopy ◽

Infrared Reflection

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Infrared Reflection–Absorption Spectroscopy and Density Functional Theory Investigations of Ultrathin ZnO Films Formed on Ag(111)

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b00158 ◽

2018 ◽

Vol 122 (9) ◽

pp. 4963-4971 ◽

Author(s):

Mie Andersen ◽

Xiaojuan Yu ◽

Matthias Kick ◽

Yuemin Wang ◽

Christof Wöll ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectroscopy ◽

Density Functional ◽

Zno Films ◽

Functional Theory ◽

Infrared Reflection Absorption Spectroscopy ◽

Infrared Reflection

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Phenyl-Modified Carbon Nitride Quantum Nanoflakes for Ultra-Highly Selective Sensing of Formic Acid: A Combined Experimental by QCM and Density Functional Theory Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.1c12196 ◽

2021 ◽

Author(s):

Nagy L. Torad ◽

Hamza El-Hosainy ◽

Mohamed Esmat ◽

Khaled E. El-Kelany ◽

Rafat Tahawy ◽

...

Keyword(s):

Density Functional Theory ◽

Formic Acid ◽

Density Functional ◽

Carbon Nitride ◽

Density Functional Theory Study ◽

Functional Theory

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Molybdenum carbide catalysed hydrogen production from formic acid – A density functional theory study

Journal of Power Sources ◽

10.1016/j.jpowsour.2013.07.102 ◽

2014 ◽

Vol 246 ◽

pp. 548-555 ◽

Author(s):

Qiquan Luo ◽

Tao Wang ◽

Guido Walther ◽

Matthias Beller ◽

Haijun Jiao

Keyword(s):

Density Functional Theory ◽

Hydrogen Production ◽

Formic Acid ◽

Density Functional ◽

Molybdenum Carbide ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study of Formic Acid Adsorption on Anatase TiO2(001): Geometries, Energetics, and Effects of Coverage, Hydration, and Reconstruction

The Journal of Physical Chemistry B ◽

10.1021/jp056572t ◽

2006 ◽

Vol 110 (6) ◽

pp. 2804-2811 ◽

Author(s):

Xue-Qing Gong ◽

Annabella Selloni ◽

Andrea Vittadini

Keyword(s):

Density Functional Theory ◽

Formic Acid ◽

Density Functional ◽

Anatase Tio2 ◽

Density Functional Theory Study ◽

Functional Theory

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Electronic Control of the “Bailar Twist” in Formally d0-d2Molybdenum Tris(dithiolene) Complexes: A Sulfur K-edge X-ray Absorption Spectroscopy and Density Functional Theory Study

Inorganic Chemistry ◽

10.1021/ic800494h ◽

2008 ◽

Vol 47 (14) ◽

pp. 6382-6392 ◽

Author(s):

Adam L. Tenderholt ◽

Robert K. Szilagyi ◽

Richard H. Holm ◽

Keith O. Hodgson ◽

Britt Hedman ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectroscopy ◽

Density Functional ◽

Electronic Control ◽

Density Functional Theory Study ◽

Functional Theory ◽

X Ray ◽

Bailar Twist ◽

X Ray Absorption

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Trends in Formic Acid Decomposition on Model Transition Metal Surfaces: A Density Functional Theory study

ACS Catalysis ◽

10.1021/cs500737p ◽

2014 ◽

Vol 4 (12) ◽

pp. 4434-4445 ◽

Author(s):

Jeffrey A. Herron ◽

Jessica Scaranto ◽

Peter Ferrin ◽

Sha Li ◽

Manos Mavrikakis

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Formic Acid ◽

Density Functional ◽

Density Functional Theory Study ◽

Acid Decomposition ◽

Functional Theory ◽

Formic Acid Decomposition ◽

Transition Metal Surfaces ◽

Model Transition

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