Aditya Savara: search on Z-Library

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1

Extracting meaningful standard enthalpies and entropies of activation for surface reactions from kinetic rates

Doyle, Peter J., Savara, Aditya, Raiman, Stephen S.

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

2020

File:

PDF, 1.82 MB

2020

2

ChemInform Abstract: Olefin Hydrogenation on Pd Model Supported Catalysts: New Mechanistic Insights

Wiebke Ludwig, Aditya Savara, Karl-Heinz Dostert, Swetlana Schauermann

Journal:

Year:

2012

File:

PDF, 18 KB

2012

3

Role of Low-Coordinated Surface Sites in Olefin Hydrogenation: A Molecular Beam Study on Pd Nanoparticles and Pd(111)

Wiebke Ludwig, Aditya Savara, Swetlana Schauermann, Hans-Joachim Freund

Journal:

Year:

2010

Language:

english

File:

PDF, 262 KB

english, 2010

4

TPD of NO2− and NO3− from Na-Y: The relative stabilities of nitrates and nitrites in low temperature DeNOx catalysis

Aditya Savara, Wolfgang M.H. Sachtler, Eric Weitz

Journal:

Applied Catalysis B: Environmental

Year:

2009

Language:

english

File:

PDF, 333 KB

english, 2009

5

Catalytic reduction of NH4NO3 by NO: Effects of solid acids and implications for low temperature DeNOx processes

Aditya Savara, Mei-Jun Li, Wolfgang M.H. Sachtler, Eric Weitz

Journal:

Applied Catalysis B: Environmental

Year:

2008

Language:

english

File:

PDF, 480 KB

english, 2008

6

An overview of the mechanisms of NOx reduction with oxygenates over zeolite and γ-Al2O3 catalysts

Younghoon Yeom, Meijun Li, Aditya Savara, Wolfgang Sachtler, Eric Weitz

Journal:

Catalysis Today

Year:

2008

Language:

english

File:

PDF, 626 KB

english, 2008

7

Olefin hydrogenation on Pd model supported catalysts: New mechanistic insights

Wiebke Ludwig, Aditya Savara, Karl-Heinz Dostert, Swetlana Schauermann

Journal:

Journal of Catalysis

Year:

2011

Language:

english

File:

PDF, 916 KB

english, 2011

8

Kinetic Evidence for a Non-Langmuir-Hinshelwood Surface Reaction: H/D Exchange over Pd Nanoparticles and Pd(111)

Savara, Aditya, Ludwig, Wiebke, Schauermann, Swetlana

Journal:

Year:

2013

Language:

english

File:

PDF, 669 KB

english, 2013

9

Role of hydrogen in olefin isomerization and hydrogenation: a molecular beam study on Pd model supported catalysts

Ludwig, Wiebke, Savara, Aditya, Schauermann, Swetlana

Journal:

Dalton Transactions

Year:

2010

Language:

english

File:

PDF, 443 KB

english, 2010

10

Temperature dependence of the 2-butene hydrogenation over supported Pd nanoparticles and Pd(111)

Savara, Aditya, Ludwig, Wiebke, Dostert, Karl-Heinz, Schauermann, Swetlana

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2013

Language:

english

File:

PDF, 814 KB

english, 2013

11

Subsurface Hydrogen Diffusion into Pd Nanoparticles: Role of Low-Coordinated Surface Sites and Facilitation by Carbon

Ludwig, Wiebke, Savara, Aditya, Madix, Robert J., Schauermann, Swetlana, Freund, Hans-Joachim

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.72 MB

english, 2012

12

Vibrational spectra of CO adsorbed on oxide thin films: A tool to probe the surface defects and phase changes of oxide thin films

Journal:

Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Year:

2014

Language:

english

File:

PDF, 937 KB

english, 2014

13

Elucidation of Intermediates and Mechanisms in Heterogeneous Catalysis Using Infrared Spectroscopy

Savara, Aditya, Weitz, Eric

Journal:

Annual Review of Physical Chemistry

Year:

2014

Language:

english

File:

PDF, 1.15 MB

english, 2014

14

Kinetics of NO + H + + NO 3− → NO 2 + HNO 2 on BaNa−Y: Evidence for a Diffusion-Limited A + B → 0 Reaction on a Surface †

Savara, Aditya, Weitz, Eric

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 570 KB

english, 2010

15

Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111)

Liu, Wei, Savara, Aditya, Ren, Xinguo, Ludwig, Wiebke, Dostert, Karl-Heinz, Schauermann, Swetlana, Tkatchenko, Alexandre, Freund, Hans-Joachim, Scheffler, Matthias

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 2.63 MB

english, 2012

16

Adsorption Entropies and Enthalpies and Their Implications for Adsorbate Dynamics

Savara, Aditya, Schmidt, Catherine M., Geiger, Franz M., Weitz, Eric

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 273 KB

english, 2009

17

Standard States for Adsorption on Solid Surfaces: 2D Gases, Surface Liquids, and Langmuir Adsorbates

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 311 KB

english, 2013

18

Benzyl Alcohol Oxidation on Carbon-Supported Pd Nanoparticles: Elucidating the Reaction Mechanism

Savara, Aditya, Chan-Thaw, Carine E., Rossetti, Ilenia, Villa, Alberto, Prati, Laura

Journal:

Year:

2014

Language:

english

File:

PDF, 987 KB

english, 2014

19

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

Dostert, Karl-Heinz, O’Brien, Casey P., Riedel, Wiebke, Savara, Aditya, Liu, Wei, Oehzelt, Martin, Tkatchenko, Alexandre, Schauermann, Swetlana

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.61 MB

english, 2014

20

Reaction efficiency effects on binary chemical reactions

Lazaridis, Filippos, Savara, Aditya, Argyrakis, Panos

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 836 KB

english, 2014

21

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

Gur, Sourav, Danielson, Thomas, Xiong, Qingang, Hin, Celine, Pannala, Sreekanth, Frantziskonis, George, Savara, Aditya, Daw, C. Stuart

Journal:

Chemical Engineering Science

Year:

2016

Language:

english

File:

PDF, 5.07 MB

english, 2016

22

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

Dostert, Karl-Heinz, O'Brien, Casey P., Liu, Wei, Riedel, Wiebke, Savara, Aditya, Tkatchenko, Alexandre, Schauermann, Swetlana, Freund, Hans-Joachim

Journal:

Surface Science

Year:

2016

Language:

english

File:

PDF, 1.12 MB

english, 2016

23

Microkinetic Modeling of Benzyl Alcohol Oxidation on Carbon-Supported Palladium Nanoparticles

Savara, Aditya, Rossetti, Ilenia, Chan-Thaw, Carine E., Prati, Laura, Villa, Alberto

Journal:

Year:

2016

Language:

english

File:

PDF, 1.33 MB

english, 2016

24

Comment on “Equilibrium Constants and Rate Constants for Adsorbates: Two-Dimensional (2D) Ideal Gas, 2D Ideal Lattice Gas, and Ideal Hindered Translator Models”

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 162 KB

english, 2016

25

Back Cover: Microkinetic Modeling of Benzyl Alcohol Oxidation on Carbon-Supported Palladium Nanoparticles (ChemCatChem 15/2016)

Savara, Aditya, Rossetti, Ilenia, Chan-Thaw, Carine E., Prati, Laura, Villa, Alberto

Journal:

Year:

2016

File:

PDF, 4.17 MB

2016

26

Simulation and fitting of complex reaction network TPR: The key is the objective function

Journal:

Surface Science

Year:

2016

Language:

english

File:

PDF, 1.51 MB

english, 2016

27

Molecular Origin of Selectivity Differences Between Pd and AuPd in Benzyl Alcohol Oxidation: Different Oxygen Adsorption Properties

Savara, Aditya, Chan-Thaw, Carine E, Sutton, Jonathan E, Wang, Di, Prati, Laura, Villa, Alberto

Journal:

Year:

2016

Language:

english

File:

PDF, 3.63 MB

english, 2016

28

Inside Cover: Molecular Origin of the Selectivity Differences between Palladium and Gold-Palladium in Benzyl Alcohol Oxidation: Different Oxygen Adsorption Properties (ChemCatChem 2/2017)

Savara, Aditya, Chan-Thaw, Carine E., Sutton, Jonathan E., Wang, Di, Prati, Laura, Villa, Alberto

Journal:

Year:

2017

File:

PDF, 1024 KB

2017

29

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

Danielson, Thomas, Hin, Celine, Savara, Aditya

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.15 MB

english, 2016

30

SQERTSS: Dynamic rank based throttling of transition probabilities in kinetic Monte Carlo simulations

Danielson, Thomas, Sutton, Jonathan, Hin, Celine, Savara, Aditya

Journal:

Computer Physics Communications

Year:

2017

Language:

english

File:

PDF, 1.39 MB

english, 2017

31

Correction to “Comment on ‘Equilibrium Constants and Rate Constants for Adsorbates: 2D Ideal Gas, 2D Ideal Lattice Gas, and Ideal Hindered Translator Models’”

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 189 KB

english, 2017

32

Catalysis beyond frontier molecular orbitals: Selectivity in partial hydrogenation of multi-unsaturated hydrocarbons on metal catalysts

Liu, Wei, Jiang, Yingda, Dostert, Karl-Heinz, O’Brien, Casey P., Riedel, Wiebke, Savara, Aditya, Schauermann, Swetlana, Tkatchenko, Alexandre

Journal:

Science Advances

Year:

2017

Language:

english

File:

PDF, 812 KB

english, 2017

33

Ambient-Pressure XPS Studies of Reactions of Alcohols on SrTiO 3 (100)

Zhang, Yafen, Savara, Aditya, Mullins, David R.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 1.54 MB

english, 2017

34

Below-Room-Temperature C–H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO 2 (111)

Sutton, Jonathan E., Danielson, Thomas, Beste, Ariana, Savara, Aditya

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.19 MB

english, 2017

35

Gold as modifier of metal nanoparticles: effect on structure and catalysis

Prati, Laura, Villa, Alberto, Jouve, Andrea, Beck, Andrea, Evangelisti, Claudio, Savara, Aditya

Journal:

Faraday Discussions

Year:

2018

Language:

english

File:

PDF, 1.38 MB

english, 2018

36

Electrons to Reactors Multiscale Modeling: Catalytic CO Oxidation over RuO 2

Sutton, Jonathan E, Lorenzi, Juan Manuel, Krogel, Jaron, Xiong, Qingang, Pannala, Sreekanth, Matera, Sebastian, Savara, Aditya

Journal:

Year:

2018

Language:

english

File:

PDF, 1.41 MB

english, 2018

37

The φ -Relation and a Simple Method to Predict How Many Data Points Are Needed for Relevant Steady-State Detection

Nellis, Chris, Hin, Céline, Savara, Aditya

Journal:

Year:

2018

Language:

english

File:

PDF, 1.87 MB

english, 2018

38

The F-t-Pj-RG method: An adjacent-rolling-windows based steady-state detection technique for application to kinetic Monte Carlo simulations

Nellis, Chris, Danielson, Thomas, Savara, Aditya, Hin, Celine

Journal:

Computer Physics Communications

Year:

2018

Language:

english

File:

PDF, 3.05 MB

english, 2018

39

SQERT-T: alleviating kinetic Monte Carlo (KMC)-stiffness in transient KMC simulations

Savara, Aditya, Sutton, Jonathan E

Journal:

Journal of Physics Condensed Matter

Year:

2018

Language:

english

File:

PDF, 793 KB

english, 2018

40

Development of activity–descriptor relationships for supported metal ion hydrogenation catalysts on silica

Liu, Cong, Camacho-Bunquin, Jeffrey, Ferrandon, Magali, Savara, Aditya, Sohn, Hyuntae, Yang, Dali, Kaphan, David M., Langeslay, Ryan R., Ignacio-de Leon, Patricia A., Liu, Shengsi, Das, Ujjal, Yang, B

Journal:

Year:

2018

Language:

english

File:

PDF, 2.08 MB

english, 2018

41

Selective Benzyl Alcohol Oxidation over Pd Catalysts

Chan-Thaw, Carine, Savara, Aditya, Villa, Alberto

Journal:

Year:

2018

Language:

english

File:

PDF, 2.55 MB

english, 2018

42

Coupling of Acetaldehyde to Crotonaldehyde on CeO 2- x (111): Bifunctional Mechanism and Role of Oxygen Vacancies

Zhao, Chuanlin, Watt, Charles L., Kent, Paul R.C., Overbury, Steven H, Mullins, David R, Calaza, Florencia C., Savara, Aditya, Xu, Ye

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 1.50 MB

english, 2018

43

Effect of Sr Substitution in LaMnO 3 (100) on Catalytic Conversion of Acetic Acid to Ketene and Combustion-like Products

Zhang, Yafen, Mullins, David R, Savara, Aditya

Journal:

The Journal of Physical Chemistry C

Year:

2019

File:

PDF, 776 KB

2019

44

Experimental data based combinatorial kinetic simulations for predictions of synergistic catalyst mixtures

Vuong, Hung, Binder, Andrew J., Sutton, Jonathan E., Toops, Todd, Savara, Aditya

Journal:

Catalysis Today

Year:

2019

Language:

english

File:

PDF, 7.30 MB

english, 2019

45

Microkinetic simulation and fitting of the temperature programmed reaction of methanol on CeO2(111): H2 and H2O + V production

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

2020

Language:

english

File:

PDF, 1.48 MB

english, 2020

46

Microkinetic simulation and fitting of the temperature programmed reaction of methanol on CeO2(111): H2 and H2O + V production

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

2020

File:

PDF, 1.48 MB

2020

47

A Method for Obtaining Liquid-Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H 2 O

Zhang, Xiaohong, Savara, Aditya, Getman, Rachel B.

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 3.72 MB

2020

48

Harnessing strong metalâsupport interactions via a reverse route

Wu, Peiwen, Tan, Shuai, Moon, Jisue, Yan, Zihao, Fung, Victor, Li, Na, Yang, Shi-Ze, Cheng, Yongqiang, Abney, Carter W., Wu, Zili, Savara, Aditya, Momen, Ayyoub M., Jiang, De-en, Su, Dong, Li, Huaming

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.32 MB

2020

49

CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory

Savara, Aditya, Walker, Eric A

Journal:

Year:

2020

File:

PDF, 1.54 MB

2020

50

CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics

Walker, Eric Alan, Ravisankar, Kishore, Savara, Aditya (Ashi)

Journal:

Year:

2020

File:

PDF, 1.42 MB

2020

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