Arghya Bhowmik, Dr. Heine Anton Hansen and Prof. Dr. Tejs Vegge*
|
|
|
- Richard Hines
- 5 years ago
- Views:
Transcription
1 Supplementary Information for The Role of CO* as a Spectator in CO 2 Electro-reduction on RuO 2 Arghya Bhowmik, Dr. Heine Anton Hansen and Prof. Dr. Tejs Vegge* Department of Energy Conversion and Storage, Technical University of Denmark, Fysikvej Bldg. 309, DK-2800 Kgs. Lyngby, Denmark. teve@dtu.dk; Fax: ; Tel: Table SI1: Free energy (ev) including zero point, heat capacity and entropy contributions at K for adsorbed species on the model catalyst surface (and any product molecule released in the concerned electron/proton transfer step), with respect to CO 2, H 2 O and H 2 molecules. e - / H + transfer step Adsorbate and (or) product Free energy of catalyst surface with intermediates and products released [ev] (and unused CO 2 for HER intermediates) 0CO 1CO-b 2CO-bc 2CO-bb 3CObbc 3CObcc 0 * OCHO* HCOOH* H 2 COOH* H 3 CO*+OH* H 2 CO*+H H 3 CO*+H O*+CH 4 (aq)+h OH*+CH 4 (aq)+h CH 4 (aq)+2h O*+CH 3 OH(aq) H 2 COH*+H OH*+CH 3 OH(aq) CH 3 OH*+H CH 3 OH(aq)+H HCOOH(aq) COOH* CO+H H* H 2 (aq)
2 Table SI1: Free energy calculation at K for reactant and product molecules in this study. Fugacities and free energy corrections are also listed. Fugacity values for methanol and formic acid are calculated from product concentration observed 1,2. That for other reactants/products are from previous theoretical literature 3. Species Fugacity [Pa] E elec [ev] ZPE [ev] Heat capacity contribution [ev] -TS [ev] Correction [ev] CO CO H H 2 O HCOOH (C=O bond) and (HCOO - (aq)) CH 3 OH CH
3 cus bridge X X X X cus X X bridge CO X cus bridge CO X CO X cus bridge CO CO CO X Figure SI1: The simulated cell for the RuO 2 (110) surface with two bridge (site coordinating between two Ru atoms) and two cus sites (on top position on a Ru atom). The four sites are occupied by (a) no spectator: all four active sites can take part in the catalysis, (b) one bridge site blocked by CO*, (c) one bridge site and one cus site (closer to the bridge site), and (d) two cus sites and one bridge site filled with CO*. Schematic representation of the active site occupation by CO* spectators is given below the molecular model, where X denotes an empty site. cus sites are yellow and bridge sites are green. Further, other CO* configurations were also studied as follows: cus CO X bridge X X cus X CO bridge CO X cus X X bridge CO CO cus bridge CO X CO CO
4 Figure SI2: all possible spatially distinct CO* spectator coverage within the simulation slab with two bridge and two cus sites. (a) no CO* coverage. (b) 25% CO* coverage (bridge site). (c) 25% CO* coverage (cus sites). (d) 50% CO* coverage (all bridge sites). (e) 50% CO* coverage (all cus sites). (f) 50% CO* coverage (adjoining bridge and cus sites i.e. near). (g) 50% CO* coverage (distant bridge and cus sites i.e. far). (h) 75% CO* coverage (all bridge sites and half cus sites). (i) 75% CO* coverage (all cus sites and half bridge sites). (j) 100% CO* coverage.
5 none free energy w.r.t bare surface and CO molecule (ev) cus bridge 2*cus bridge+cus-far bridge+cus-near 2*bridge bridge+2*cus 2*bridge+cus all sites CO* coverage Figure SI3: free energy of CO* covered surfaces relative to bare RuO 2 (110) surfaces and CO molecule. (all surfaces mentioned in Figure SI2)
6 xCO*-bridge Binding free energy (ev) * O*+CH 3 OH(aq) H 2 COOH* H 2 COH*+H 2 COOH* H 3 CO*+OH* H* H 2 (aq) H 3 CO*+H 2 HCOOH* H 2 CO*+H 2 CH 3 OH*+H 2 HCOOH(aq) O*+CH 4 (aq)+h 2 CO+H 2 OCHO* OH*+CH 3 OH(aq) CH 3 OH(aq)+H 2 OH*+CH 4 (aq)+h CH 4 (aq)+2h Proton transfer step Figure SI4: Free energy diagram of possible reaction intermediates for HER/CO2RR and CO evolution from CO 2 with all bridge sites filled with spectator CO* and all cus sites empty.
7 2.0 COOH* Binding free energy (ev) * H 2 COH*+H 2 H 2 COOH* OCHO* O*+CH 3 OH(aq) H* CO+H 2 H 3 CO*+H 2 H 2 (aq) H 2 CO*+H 2 O*+CH 4 (aq)+h 2 HCOOH(aq) CH 3 OH*+H 2 HCOOH* OH*+CH 3 OH(aq) CH 3 OH(aq)+H 2 2xCO*-bridge+CO*-cus -1.0 OH*+CH 4 (aq)+h CH 4 (aq)+2h Proton transfer step Figure SI5: Free energy diagram of possible reaction intermediates for HER/CO2RR and CO evolution from CO 2 with all bridge sites and half of the cus sites (total 75% sites) filled with spectator CO*.
8 Free energy chnage at 0 V-RHE OCHO* formation OCHO* protonation H 2 COOH* formation H 2 COOH* reduction H 3 CO* formation methanol release OH* removal CO* spectator covearge Figure SI6: The free energy change associated with an elementary step for methanol evolution is found to change with different CO* spectator coverage. The largest positive step at 0 V-RHE would require the most reducing condition to proceed. Steps showing negative free energy change are assumed to occur spontaneously.
9 Figure S7: visualization of reaction intermediates with 0% CO* coverage (a) empty active site (b) H* (c) O* (d) CO* (e) OH* (f) H 2 CO* (g) H 3 CO* (h) H 2 COH* (i) CH 3 OH* (j) OCHO* (k) COOH* (l) HCOOH* (m) H 2 COOH* (n) H 3 CO*+OH*
10 Figure S8: visualization of reaction intermediates with 25% CO* (bridge site) coverage (a) empty active site (b) H* (c) O* (d) CO* (e) OH* (f) H 2 CO* (g) H 3 CO* (h) H 2 COH* (i) CH 3 OH* (j) OCHO* (k) COOH* (l) HCOOH* (m) H 2 COOH* (n) H 3 CO*+OH*
11 Figure S9: visualization of reaction intermediates with 50% CO* (bridge + bridge site) coverage (a) empty active site (b) H* (c) O* (d) CO* (e) OH* (f) H 2 CO* (g) H 3 CO* (h) H 2 COH* (i) CH 3 OH* (j) OCHO* (k) COOH* (l) HCOOH* (m) H 2 COOH* (n) H 3 CO*+OH*
12 Figure S10: visualization of reaction intermediates with 50% CO* (bridge + adjacent cus site) coverage (a) empty active site (b) H* (c) O* (d) CO* (e) OH* (f) H 2 CO* (g) H 3 CO* (h) H 2 COH* (i) CH 3 OH* (j) OCHO* (k) COOH* (l) HCOOH* (m) H 2 COOH* (n) H 3 CO*+OH*
13 Figure S11: visualization of reaction intermediates with 75% CO* (bridge + bridge + cus site) coverage (a) empty active site (b) H* (c) O* (d) CO* (e) OH* (f) H 2 CO* (g) H 3 CO* (h) H 2 COH* (i) CH 3 OH* (j) OCHO* (k) COOH* (l) HCOOH* (m) H 2 COOH*
14 Figure S11: visualization of reaction intermediates with 75% CO* (bridge + cus + cus site) coverage (a) empty active site (b) H* (c) O* (d) CO* (e) OH* (f) H 2 CO* (g) H 3 CO* (h) H 2 COH* (i) CH 3 OH* (j) OCHO* (k) COOH* (l) HCOOH* (m) H 2 COOH* References: (1) Popic, J. P.; Avramov-Ivic, M. L.; Vukovic, N. B.; Popić, J.; Avramov-Ivić, M.; Vuković, N.; Popic, J.
15 P.; Avramov-Ivic, M. L.; Vukovic, N. B.; Popić, J.; et al. Reduction of Carbon Dioxide on Ruthenium Oxide and Modified Ruthenium Oxide Electrodes in 0.5 M NaHCO 3. J. Electroanal. 1997, 421, (2) Spataru, N.; Tokuhiro, K.; Terashima, C.; Rao, T. N.; Fujishima, A. Electrochemical Reduction of Carbon Dioxide at Ruthenium Dioxide Deposited on Boron-Doped Diamond. J. Appl. Electrochem. 2003, 33 (12), (3) Peterson, A. A.; Abild-Pedersen, F.; Studt, F.; Rossmeisl, J.; Nørskov, J. K.; Lewis, N. S.; Nocera, D. G.; Hori, Y.; Kikuchi, K.; Murata, A.; et al. How Copper Catalyzes the Electroreduction of Carbon Dioxide into Hydrocarbon Fuels. Energy Environ. Sci. 2010, 3 (9),
Supplementary information for How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
for How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels Andrew A. Peterson, Frank Abild-Pedersen, Felix Studt, Jan Rossmeisl, Jens K. Nørskov Center for Atomic-scale Materials
Molecular Scaffolding Strategy with Synergistic Active Centers to Facilitate Electrocatalytic CO2 Reduction to Hydrocarbon/Alcohol
Supporting Information Molecular Scaffolding Strategy with Synergistic Active Centers to Facilitate Electrocatalytic CO2 Reduction to Hydrocarbon/Alcohol Yan Jiao 1,, Yao Zheng 1,, Ping Chen 1,2,, Mietek
Supporting information for Activity descriptors for CO 2 electroreduction to methane on transition-metal catalysts
Supporting information for Activity descriptors for CO 2 electroreduction to methane on transition-metal catalysts Andrew A. Peterson 1,3, Jens K. Nørskov 1,2 SUNCAT Center for Interface Science and Catalysis,
Supporting Information: Selective Electrochemical Generation of. Hydrogen Peroxide from Water Oxidation
Supporting Information: Selective Electrochemical Generation of Hydrogen Peroxide from Water Oxidation Venkatasubramanian Viswanathan,,, Heine A. Hansen,, and Jens K. Nørskov,, Department of Mechanical
Bifunctional alloys for the electroreduction of CO 2 and CO
Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is the Owner Societies 2016 Bifunctional alloys for the electroreduction of CO 2 and CO Heine A.Hansen a, Chuan
Supporting information for Chemical and Electrochemical. Surfaces: Insights into the Mechanism and Selectivity from DFT.
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2015 Supporting information for Chemical and Electrochemical Hydrogenation of CO 2 to hydrocarbons
Calculations of Product Selectivity in Electrochemical CO 2 Reduction
This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes. Cite This: pubs.acs.org/acscatalysis
Oxygen Reduction Reaction
Electronic Supplementary Material (ESI) for RSC Advances. This journal is The Royal Society of Chemistry 2016 Oxygen Reduction Reaction Oxygen is the most common oxidant for most fuel cell cathodes simply
Electroreduction of N 2 to ammonia at ambient conditions on mononitrides of Zr, Nb, Cr, and V A DFT guide for experiments
Electronic Supplementary Information Electroreduction of N to ammonia at ambient conditions on mononitrides of Zr, Nb, r, and V DFT guide for experiments Younes bghoui a, nna L. Garden b, Jakob G. Howalt
Introductory Lecture: Principle and Applications of Fuel Cells (Methanol/Air as Example)
3 rd LAMNET Workshop Brazil -4 December 00 3 rd LAMNET Workshop Brazil 00 Introductory Lecture: Principle and Applications of Fuel Cells (Methanol/Air as Example) Prof. Dr. Wolf Vielstich University of
Electronic Supplementary Information (ESI) Atomic Interpretation of High Activity on Transition Metal and
Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A. This journal is The Royal Society of Chemistry 2017 Electronic Supplementary Information (ESI) Atomic Interpretation of High
Supporting Information: Surface Polarons Reducing Overpotentials in. the Oxygen Evolution Reaction
Supporting Information: Surface Polarons Reducing Overpotentials in the Oxygen Evolution Reaction Patrick Gono Julia Wiktor Francesco Ambrosio and Alfredo Pasquarello Chaire de Simulation à l Echelle Atomique
Frank Abild-Pedersen - DTU Orbit (29/08/13) Abild-Pedersen, Frank Business Developer, Former employee
Frank Abild-Pedersen - DTU Orbit (29/08/13) Abild-Pedersen, Frank Business Developer, Former employee abild@fysik.dtu.dk Department of Physics Person: VIP Metal Oxide-Supported Platinum Overlayers as Proton-Exchange
Scanning Flow Cell SFC SFC-OLEMS Summary CO2 reduction on Cu-Co thin films Summary
Electrochemical CO2 Reduction Product Distribution Screening on Cu-Co Thin Film Composition Spread Samples by Coupling of a Scanning Flow Cell to OLEMS Department of Interface Chemistry and Surface Engineering
The role of the Cu oxidation state on CO 2 reduction on copper oxide surfaces
The role of the Cu oxidation state on CO 2 reduction on copper oxide surfaces Thuy My Le Department of Chemical and Biomolecular Engineering Johns Hopkins University Need for alternative fuels It is predicted
Theoretical Calculations of Electrochemical Ammonia Synthesis at Ambient Pressure and Temperature
Theoretical Calculations of Electrochemical Ammonia Synthesis at Ambient Pressure and Temperature Egill Skúlason 1,2, Thomas Bligaard 1,2, Jan Rossmeisl 2, Áshildur Logadóttir 2, Jens K. Nørskov 2, Hannes
Chem12 Acids : Exam Questions M.C.-100
Chem12 Acids : Exam Questions M.C.-100 1) Given : HPO 4 2- (aq) + NH 4 + (aq) H 2 PO 4 - (aq) + NH 3 (aq), the strongest acid in the above equation is : a) NH 4 + b) HPO 4 2- c) NH 3 d) H 2 PO 4-2)
Density functional theory calculations, reaction mechanism, methanol synthesis, Copper, van der
SLAC-PUB-15360 CO and CO 2 hydrogenation to methanol calculated using the BEEF-vdW functional Felix Studt,* a Frank Abild-Pedersen, a Joel B. Varley, b Jens K. Nørskov a,b a SUNCAT Center for Interface
Activation and Coupling: First Principles. Selectivity of the Catalyst
Supporting Information Subsurface Boron Doped Copper for Methane Activation and Coupling: First Principles Investigation of the Structure, Activity and Selectivity of the Catalyst Quang Thang Trinh, 1
Supplementary Information for:
Supplementary Information for: Towards Active and Stable Oxygen Reduction Cathode: A Density Functional Theory Survey on Pt 2 M skin alloys Guang-Feng Wei and Zhi-Pan Liu* Shanghai Key Laboratory of lecular
Apply the concept of percent yield to stoichiometric problems. Methanol can be produced through the reaction of CO and H 2 in the presence of a
Apply the concept of percent yield to stoichiometric problems. Methanol can be produced through the reaction of CO and H 2 in the presence of a catalyst. CO (g) + H 2 (g) CH 3 OH (l) If 75.0 g of CO reacts
Electronic Supplementary Information
Electronic Supplementary Material (ESI) for Green Chemistry. This journal is The Royal Society of Chemistry 2016 Electronic Supplementary Information Interfacial acidity in ligand-modified ruthenium nanoparticles
Heterogeneous catalysis: the fundamentals Kinetics
www.catalysiscourse.com Heterogeneous catalysis: the fundamentals Kinetics Prof dr J W (Hans) Niemantsverdriet Schuit Institute of Catalysis Catalysis is a cycle A B separation P catalyst P bonding catalyst
EXAM OF SCIENTIFIC CULTURE MAJOR CHEMISTRY. CO 2 hydrogenation
EXAM OF SCIETIFIC CULTURE MAJOR CHEMISTRY CO 2 hydrogenation One possibility to limit CO 2 imprint on the global warming is to reduce CO 2 to more usable forms such as hydrocarbons. These can serve as
Supporting Information Incorporation of Nitrogen Defects for Efficient Reduction of CO 2 via Two-electron Pathway on Three Dimensional Graphene Foam
Supporting Information Incorporation of Nitrogen Defects for Efficient Reduction of CO 2 via Two-electron Pathway on Three Dimensional Graphene Foam Jingjie Wu 1, Mingjie Liu 1, Pranav P. Sharma 2, Ram
Catalytic hydrogenation and dehydrogenation
Catalysis working group in Task 32 Catalytic hydrogenation and dehydrogenation Petra de Jongh, Claudia Weidenthaler, Tejs Vegge, Bill David, Andreas Züttel, Ping Chen Oct. 28 th - Nov. 2 nd, 2018, Guangzhou,
Topics in the November 2014 Exam Paper for CHEM1101
November 2014 Topics in the November 2014 Exam Paper for CHEM1101 Click on the links for resources on each topic. 2014-N-2: 2014-N-3: 2014-N-4: 2014-N-5: 2014-N-7: 2014-N-8: 2014-N-9: 2014-N-10: 2014-N-11:
Q.1 Predict what will happen when SiCl 4 is added to water.
Transition etals F325 1 The aqueous chemistry of cations Hydrolysis when salts dissolve in water the ions are stabilised by polar water molecules hydrolysis can occur and the resulting solution can become
Brønsted/Lewis Acid Synergistically Promote the Initial C-C Bond Formation in MTO Reaction
Electronic Supplementary Material (ESI) for Chemical Science. This journal is The Royal Society of Chemistry 2018 Supporting Information for Brønsted/Lewis Acid Synergistically Promote the Initial C-C
17.1 Redox Chemistry Revisited
Chapter Outline 17.1 Redox Chemistry Revisited 17.2 Electrochemical Cells 17.3 Standard Potentials 17.4 Chemical Energy and Electrical Work 17.5 A Reference Point: The Standard Hydrogen Electrode 17.6
Supporting Information. Heterostructures of MXene and N-doped graphene as highly. active bifunctional electrocatalysts
Electronic Supplementary Material (ESI) for Nanoscale. This journal is The Royal Society of Chemistry 2018 Supporting Information Heterostructures of MXene and N-doped graphene as highly active bifunctional
= k 2 [CH 3 *][CH 3 CHO] (1.1)
![= k 2 [CH 3 *][CH 3 CHO] (1.1)](/thumbs/92/109793082.jpg "= k 2 [CH 3 *][CH 3 CHO] (1.1)")
Answers to Exercises Last update: Tuesday 29 th September, 205. Comments and suggestions can be sent to i.a.w.filot@tue.nl Exercise d[ch 4 ] = k 2 [CH 3 *][CH 3 CHO].) The target is to express short-lived
Experiment 28 DIRECT METHANOL FUEL CELL
Experiment 28 Direct methanol fuel cell 1 Experiment 28 DIRECT METHANOL FUEL CELL Objective The purpose of this experiment is to learn the principle of direct methanol fuel cell (DMFC) and set up a simple
Electrochemical chlorine evolution at rutile oxide (110) surfacesw
PAPER www.rsc.org/pccp Physical Chemistry Chemical Physics Electrochemical chlorine evolution at rutile oxide (110) surfacesw Heine A. Hansen, a Isabela C. Man, b Felix Studt, ab Frank Abild-Pedersen,
Chemistry 2000 Lecture 14: Redox reactions
Chemistry 2000 Lecture 14: Redox reactions Marc R. Roussel February 8, 2018 Marc R. Roussel Chemistry 2000 Lecture 14: Redox reactions February 8, 2018 1 / 12 Review: Oxidation states The oxidation state
Chemistry 223 Spring 2012 Oregon State University Exam 2 May 24, 2012 Drs. Nafshun, Watson, Richardson
Chemistry 223 Spring 2012 Oregon State University Exam 2 May 24, 2012 Drs. Nafshun, Watson, Richardson Instructions: You should have with you several number two pencils, an eraser, your 3" x 5" note card,
e - Galvanic Cell 1. Voltage Sources 1.1 Polymer Electrolyte Membrane (PEM) Fuel Cell
Galvanic cells convert different forms of energy (chemical fuel, sunlight, mechanical pressure, etc.) into electrical energy and heat. In this lecture, we are interested in some examples of galvanic cells.
SCH4U: Practice Exam
SCHU_07-08 SCHU: Practice Exam Energy in Chemistry 1. Which of the following correctly describes a reaction that absorbs heat from the surroundings? a. the reaction is endothermic b. H for this reaction
Supplementary Figures
Supplementary Figures Supplementary Fig. 1. The GC traces of the products of methanol hydrocarboxylation. (a) liquid sample (toluene as internal standard), (b) gaseous sample. Condition: 40 μmol Ru 3 (CO)
Structural and Electronic properties of platinum nanoparticles studied by diffraction and absorption spectroscopy
The 4 th SUNBEAM Workshop Structural and Electronic properties of platinum nanoparticles studied by in situ x-ray x diffraction and in situ x-ray x absorption spectroscopy Hideto Imai Fundamental and Environmental
Supporting information for:
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is The Royal Society of Chemistry 2014 Supporting information for: Rational Design of MoS 2 Catalysts: Tuning the
Supporting Information. DFT Study of Methane Synthesis from Syngas on Ce Doped Ni(111) Surface
Supporting Information DFT Study of Methane Synthesis from Syngas on Ce Doped Ni(111) Surface Kai Li, 1 Cong Yin, 2 Yi Zheng, 3 Feng He, 1 Ying Wang, 1 Menggai Jiao, 1 Hao Tang, 2,* Zhijian Wu 1,* 1 State
Ch 11 Practice Problems
Ch 11 Practice Problems 1. How many electrons are transferred in the following reaction? 2Cr 2O 7 2- + 14H + + 6Cl 2Cr 3+ + 3Cl 2 + 7H 2O A) 2 B) 4 C) 6 D) 8 2. Which metal, Al or Ni, could reduce Zn 2+
Equilibrium Multiple Choice
Equilibrium Multiple Choice January 1999 7. Consider the following graph: When equilibrium is reached, the rate of the forward reaction is A. 0.00 mol/min B. 0.25mol/min C. 1.0 mol/min D. 3.0 mol/min 8.
Hess's Law. UNIT 3. Chemical Reactions. Enthalpy Revision. Hess's Law
Hess's Law 1. Hess's law states that the enthalpy change for a chemical reaction is independent of the route taken. 2. Enthalpy changes can be calculated by application of Hess's law UNIT 3. Chemical Reactions
Supporting Information. Water-Gas Shift Activity of Atomically Dispersed Cationic Platinum versus Metallic Platinum Clusters on Titania Supports
Supporting Information Water-Gas Shift Activity of Atomically Dispersed Cationic Platinum versus Metallic Platinum Clusters on Titania Supports Salai Cheettu Ammal and Andreas Heyden * Department of Chemical
Application Challenges for Nanostructured Porous Materials
Application Challenges for Nanostructured Porous Materials Dr Liz Rowsell Director, Johnson Matthey Technology Centre 1 Paradigm Shift in Automotive NOx Control Catalysts A paradigm shift describes a fundamental
CHAPTER 6. ELECTROCHEMICAL OSCILLATIONS IN METHANOL OXIDATION
CHAPTER 6. ELECTROCHEMICAL OSCILLATIONS IN METHANOL OXIDATION 143 CHAPTER 6. ELECTROCHEMICAL OSCILLATIONS IN METHANOL OXIDATION 6.1 Introduction Based on the previous three experimental chapters dealing
Citation (APA) Ma, M. (2017). Selective Electrocatalytic CO2 Conversion on Metal Surfaces DOI: /uuid:8b16b d-4486-a139-02cbf9b80e69
Delft University of Technology Selective Electrocatalytic CO2 Conversion on Metal Surfaces Ma, Ming DOI 10.4233/uuid:8b16b984-197d-4486-a139-02cbf9b80e69 Publication date 2017 Document Version Publisher's
Selective electrochemical generation of hydrogen arxiv: v1 [physics.chem-ph] 24 Sep peroxide from water oxidation
![Selective electrochemical generation of hydrogen arxiv: v1 [physics.chem-ph] 24 Sep peroxide from water oxidation](/thumbs/74/69920917.jpg "Selective electrochemical generation of hydrogen arxiv: v1 [physics.chem-ph] 24 Sep peroxide from water oxidation")
Selective electrochemical generation of hydrogen arxiv:1509.07444v1 [physics.chem-ph] 24 Sep 2015 peroxide from water oxidation Venkatasubramanian Viswanathan,,, Heine A. Hansen,, and Jens K. Nørskov,,k
Chemistry 1A, Spring 2008 Final Exam, Version A May 17, 2008 (180 min, closed book)
Chemistry 1A, Spring 2008 Final Exam, Version A May 17, 2008 (180 min, closed book) Name: SID: TA Name: 1) Write your name on every page of this exam. 2) This exam has 25 multiple-choice questions and
Chapter 14 Chemical Kinetics
Chapter 14 Chemical Kinetics Factors that Affect Reaction rates Reaction Rates Concentration and Rate The Change of Concentration with Time Temperature and Rate Reactions Mechanisms Catalysis Chemical
Cyclic Voltammetry from First-Principles. of Denmark, DK-2800 Kgs. Lyngby, Denmark. University of Denmark, DK-2800 Kgs.
759 10.1149/1.2780988 The Electrochemical Society Cyclic Voltammetry from First-Principles G. S. Karlberg a, T. F. Jaramillo b, E. Skulason a, J. Rossmeisl a, T. Bligaard a and J. K. Nørskov a a Center
Os/Pt Core-Shell Catalysts Validated by
Supporting Information DFT Study of Oxygen Reduction Reaction on Os/Pt Core-Shell Catalysts Validated by Electrochemical Experiment Ho-Cheng Tsai, Yu-Chi Hsie,,, Ted H. Yu,, Yi-Juei Lee, Yue-Han Wu, Boris
Copyright 2017 Dan Dill 1
TP In pure water at 25, there is only a tiny, tiny amount of self ionization, ~ 7 mol/l. In pure water, how many water molecules are there for every OH ion? 1. 1 2. 3. 0 4.,000 5. 1,000,000 6.,000,000
Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol
Take our survey for a chance to win a MacBook Air Find out more ARTICLE PREVIEW view full access options NATURE CHEMISTRY ARTICLE Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol
Q.1 Predict what will happen when SiCl 4 is added to water.
Transition etals 1 The aqueous chemistry of cations Hydrolysis when salts dissolve in water the ions are stabilised by polar water molecules hydrolysis can occur and the resulting solution can become acidic
CHERRY HILL TUITION OCR A CHEMISTRY A2 PAPER 29 MARK SCHEME
1 (a) (The enthalpy change that accompanies) the formation of one mole of a(n ionic) compound IGNE 'Energy needed' energy required from its gaseous ions (under standard conditions) ALLOW as alternative
Attention: Please study problem set 1, 2, 5 and 6 as well. This review does not contain these chapters.
Chemistry 101 Review for Final Attention: Please study problem set 1, 2, 5 and 6 as well. This review does not contain these chapters. 1. Use the following ions to write the chemical formula for each ionic
Yuhan Mei 05/10/2018
Theoretical investigations of Metal-N 4-Graphene and Metal-C 3N 4 catalysts for CO 2 reduction by Yuhan Mei 05/10/2018 A thesis submitted to the Faculty of the Graduate School of the University at Buffalo,
Mechanisms of H- and OH-assisted CO activation as well as C-C coupling on the flat Co(0001) surface Revisited
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is The Royal Society of Chemistry 2016 Mechanisms of H- and OH-assisted CO activation as well as C-C coupling on
Catalytic Activity of IrO 2 (110) Surface: A DFT study
Catalytic Activity of IrO 2 (110) Surface: A DFT study Jyh-Chiang Jiang Department of Chemical Engineering, National Taiwan University of Science and Technology (NTUST) NCTS-NCKU 9/7, 2010 Computational
Catalytic and biological hydrogen production
Catalytic and biological hydrogen production J. K. Nørskov Center for Atomic-scale Materials Physics Technical University of Denmark norskov@fysik.dtu.dk Why make hydrogen? Ammonia synthesis (N 2 +3H 2
E o / V system. (aq) + 2e 2 I. Table [2] (b) An electrochemical cell can be made based on redox systems 1 and 2.
![E o / V system. (aq) + 2e 2 I. Table [2] (b) An electrochemical cell can be made based on redox systems 1 and 2.](/thumbs/86/93788890.jpg "E o / V system. (aq) + 2e 2 I. Table [2] (b) An electrochemical cell can be made based on redox systems 1 and 2.")
1 Standard electrode potentials for seven redox systems are shown in Table 7.1. You may need to use this information in parts (a) (d) of this question. Redox E o / V system 1 Mg 2+ (aq) + 2e Mg(s) 2.37
Efficient Synthesis of Ethanol from CH 4 and Syngas on
Efficient Synthesis of Ethanol from CH 4 and Syngas on a Cu-Co/TiO 2 Catalyst Using a Stepwise Reactor Zhi-Jun Zuo 1, Fen Peng 1,2, Wei Huang 1,* 1 Key Laboratory of Coal Science and Technology of Ministry
Notes: Balancing Chemical Equations
Notes: Balancing Chemical Equations Effects of chemical reactions: Chemical reactions rearrange atoms in the reactants to form new products. The identities and properties of the products are completely
Explanation: They do this by providing an alternative route or mechanism with a lower activation energy
Catalysts Definition: Catalysts increase reaction rates without getting used up. Explanation: They do this by providing an alternative route or mechanism with a lower Comparison of the activation energies
Supplementary Information. Size-Dependent Electrocatalytic Reduction of CO 2 over Pd Nanoparticles
Supplementary Information Size-Dependent Electrocatalytic Reduction of CO 2 over Pd Nanoparticles Dunfeng Gao,,, Hu Zhou, Jing Wang,, Shu Miao, Fan Yang, Guoxiong Wang,*, Jianguo Wang,*, and Xinhe Bao
Catalysis for sustainable energy: The challenge of harvesting and converting energy
Catalysis for sustainable energy: The challenge of harvesting and converting energy Tokyo, Japan 22 November 2011 I. Chorkendorff The common denominator is surface science where the functionality of nanoparticles
300 May 8, Put all calculations on the examination pages. Do not make any extra marks on the computer answer sheet!!
Name Chemistry 153-080 (3150:153-080) FINAL EXAM 120 MINUTES Tuesday, 6:00PM Instructions: 300 May 8, 2003 1. Each student is responsible for following instructions. Read this page carefully. 2. Print
Understanding trends in oxide reactivity: applications in water splitting, solid oxide fuel cells and chemical looping
Understanding trends in oxide reactivity: applications in water splitting, solid oxide fuel cells and chemical looping John Kitchin Department of Chemical Engineering Carnegie Mellon University 1 r=0*exp(-e
MULTIPLE CHOICE. Choose the one alternative that best completes the statement or answers the question.
Exam of General Chemistry :ch.18-19 Name ID MULTIPLE CHOICE. Choose the one alternative that best completes the statement or answers the question. 1) When the following half-reaction is balanced, the number
Bonus Final Exam 3. 1 Calculate the heat of reaction,δh 0 rxn, for the following reaction as written at 298 K: g 2H 2 CH 4. g CF 4.
Bonus Final Exam 3 1 Calculate the heat of reaction,δh rxn, for the following reaction as written at 298 K: CH 4 2F 2 CF 4 2H 2 substance CH 4 CF 4 ΔH f kj/mol 75 68 (A) ΔH rxn 23 kj (B) ΔH rxn 914 kj
Supporting Information
Supporting Information Atomic Mechanism of Electrocatalytically Active Co-N Complexes in Graphene Basal Plane for Oxygen Reduction Reaction Feng Li, Haibo Shu,,* Chenli Hu, Zhaoyi Shi, Xintong Liu, Pei
Key Laboratory of Green Chemistry and Chemical Processes, Department of Chemistry, East China Normal University, Shanghai , PR China.
Int. J. Electrochem. Sci., 9 (2014) 8097-8105 International Journal of ELECTROCHEMICAL SCIENCE www.electrochemsci.org Short Communication Hydrogen Evolution in the Presence of CO 2 in an Aqueous Solution
N-doped Graphene Quantum Sheets on Silicon Nanowire Photocathode for Hydrogen Production
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2015 Electronic Supplementary Information N-doped Graphene Quantum Sheets on Silicon
Layered SiC Sheets: A Potential Catalyst for Oxygen Reduction Reaction. Materials Science and Engineering, Jilin University, Changchun , China,
Supporting Information Layered SiC Sheets: A Potential Catalyst for Oxygen Reduction Reaction P. Zhang 1,2, B. B. Xiao 1, X. L. Hou 1,2, Y. F. Zhu 1,* Q. Jiang 1 1 Key Laboratory of Automobile Materials,
Studying the properties of substances and the reactions that transform substances into other substances.
3 CHEMISTRY Studying the properties of substances and the reactions that transform substances into other substances. Improving agricultural production, curing many diseases, increasing the efficiency of
The table shows three possible reversible reactions that he could use. The enthalpy changes are also shown. O(g) CO 2. (g) + 4H 2.
1 A manufacturer investigates some reactions that produce hydrogen. The table shows three possible reversible reactions that he could use. The enthalpy changes are also shown. Reaction Equation H in kj/mol
Unit 4: General Principles of Chemistry I Rates, Equilibria and Further Organic Chemistry (including synoptic assessment)
Write your name here Surname Other names Edexcel GCE Centre Number Candidate Number Chemistry Advanced Unit 4: General Principles of Chemistry I Rates, Equilibria and Further Organic Chemistry (including
B ecause of the growing global demand for energy, rising CO 2
rdk00 ACSJCA JCA10.0.1465/W Unicode research.3f (R3.6.i5 HF03:4230 2.0 alpha 39) 2014/07/15 09:23:00 PROD-JCAVA rq_4035188 10/19/2014 16:44:05 5 JCA-DEFAULT pubs.acs.org/jacs 1 Exceptional Size-Dependent
Trends in the exchange current for hydrogen evolution
Downloaded from orbit.dtu.dk on: Mar 12, 2018 Trends in the exchange current for hydrogen evolution Nørskov, Jens Kehlet; Bligaard, Thomas ; Logadottir, Ashildur; Kitchin, J.R.; Chen, J.G.; Pandelov, S.;
First-Principles Study of Structure Sensitivity of Chain Growth and. Selectivity in Fischer-Tropsch Synthesis on HCP Cobalt Catalysts
Electronic Supplementary Material (ESI) for Catalysis Science & Technology. This journal is The Royal Society of Chemistry 2017 Supporting Information First-Principles Study of Structure Sensitivity of
Equilibrium & Reaction Rate
Equilibrium & Reaction Rate 1. One of the important reactions in coal gasification is the catalytic methanation reaction: CO(g) + H (g) H O(g) + CH 4 (g) H 06 kj a) Predict the direction in which this
Kinetics. 1. Consider the following reaction: 3 A 2 B How is the average rate of appearance of B related to the average rate of disappearance of A?
Kinetics 1. Consider the following reaction: 3 A 2 B How is the average rate of appearance of B related to the average rate of disappearance of A? A. [A]/ t = [B]/ t B. [A]/ t = (2/3)( [B]/ t) C. [A]/
Reflections on the electrochemical reduction of carbon dioxide on metallic surfaces
Indian Journal of Chemistry Vol. 51A, Jan-Feb 2012, pp. 166-173 Reflections on the electrochemical reduction of carbon dioxide on metallic surfaces B Viswanathan National Centre for Catalysis Research,
CHEMISTRY 112 EXAM 4 May 7, 2014 FORM A
CHEMISTRY 112 EXAM 4 May 7, 2014 FRM A 1. Balance the following reaction in acid solution. What is the coefficient in front of water? A. 1 B. 2 C. 3 D. 4 E. 5 H 2 2 + Fe +2 Fe +3 + H 2 (liq) 2. Which of
CHERRY HILL TUITION AQA CHEMISTRY A2 PAPER Section A (2 marks) (1 mark) (Extra space) Property
2 Section A Answer all questions in the spaces provided. 1 (a) Define the term lattice enthalpy of dissociation. 1 (b) Lattice enthalpy can be calculated theoretically using a perfect ionic model. Explain
Design of High-Performance Pd-based Alloy Nanocatalysts for Direct Synthesis of H 2 O 2
Supporting Information Design of High-Performance Pd-based Alloy Nanocatalysts for Direct Synthesis of H 2 O 2 HaoxiangXu a, DaojianCheng a*, Yi Gao b,* a International Research Center for Soft Matter,
Chemical Kinetics Ch t ap 1 er
Chemical Kinetics Chapter 13 1 Chemical Kinetics Thermodynamics does a reaction take place? Kinetics how fast does a reaction proceed? Reaction rate is the change in the concentration of a reactant or
Microbial Biogeochemistry & Global Change SWES 410/510 Dr. Jon Chorover 1/31/14
Thermodynamics of Biogeochemical Reactions Microbial Biogeochemistry & Global Change SWES 410/510 Dr. Jon Chorover 1/31/14 How define biogeochemical reactions? Reactions that involve biological and geochemical
Oxidation and Reduction. Oxidation and Reduction
Oxidation and Reduction ϒ When an element loses an electron, the process is called oxidation: Na(s) Na + (aq) + e - ϒ The net charge on an atom is called its oxidation state in this case, Na(s) has an
CHM 2046 Final Exam Review: Chapters 11 18
Chapter 11 1. Which of the following has the lowest boiling point? a. NH 3 b. CH 3 Cl c. NaCl d. CO 2 e. CH 3 CH 2 CH 2 CH 2 CH 3 2. Which of the following has the lowest vapor pressure? a. CH 3 F b. CH
Chapter 14. Chemical Kinetics
Chapter 14. Chemical Kinetics Common Student Misconceptions It is possible for mathematics to get in the way of some students understanding of the chemistry of this chapter. Students often assume that
The Curious Case of Au Nanoparticles
The Curious Case of Au Nanoparticles Industrial reactions performed by metals 1 Low Au reactivity Predictions are typically based on d-band model Hold well for polycrystalline materials Coinage metals
Cork Institute of Technology. Summer 2006 Materials Science (Time: 3 Hours)
Cork Institute of Technology Bachelor of Engineering (Honours) in Electronic Engineering Stage 1 Instructions Attempt any FIVE Questions. All questions carry equal marks. (NFQ Level 8) Summer 2006 Materials
Introduction to Electrochemical reactions. Schweitzer
Introduction to Electrochemical reactions Schweitzer Electrochemistry Create and or store electricity chemically. Use electricity to drive a reaction that normally would not run. Plating metal onto a metal
Cu-Sn Bimetallic Catalyst for Selective Aqueous Electroreduction of CO 2 to CO
Supporting Information Cu-Sn Bimetallic Catalyst for Selective Aqueous Electroreduction of CO 2 to CO Saad Sarfraz, Angel T. Garcia-Esparza, Abdesslem Jedidi, Luigi Cavallo, and Kazuhiro Takanabe* King
List, with an explanation, the three compounds in order of increasing carbon to oxygen bond length (shortest first).
T4-2P1 [226 marks] 1. Which statement best describes the intramolecular bonding in HCN(l)? A. Electrostatic attractions between H + and CN ions B. Only van der Waals forces C. Van der Waals forces and
Electrochemistry with DFT
Department of Chemistry Electrochemistry with DFT Jan Rossmeisl. Department of Chemistry University of Copenhagen 1 Electrochemical Energy Conversion H 2 O ½O 2 +H 2 ½O 2 + H 2 H 2 O Electric energy Chemical