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1

Role of water in metal catalyst performance for ketone hydrogenation: a joint experimental and theoretical study on levulinic acid conversion into gamma-valerolactone

Michel, Carine, Zaffran, Jérémie, Ruppert, Agnieszka M., Matras-Michalska, Joanna, Jędrzejczyk, Marcin, Grams, Jacek, Sautet, Philippe

Journal:

Chemical Communications

Year:

2014

Language:

english

File:

PDF, 1.95 MB

english, 2014

2

Efficient cationic agents for exfoliating two-dimensional nickel oxide sheets

Zaffran, Jeremie, Nagli, Michael, Shehadeh, Mahran, Toroker, Maytal Caspary

Journal:

Theoretica Chimica Acta

Year:

2018

Language:

english

File:

PDF, 1010 KB

english, 2018

3

Simulation and visualization of nanodiamond and nanographite

Joan Adler, Jeremie Zaffran, Amihai Silverman, Anastassia Sorkin, Or Cohen, Rafi Kalish

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

4

Linear Energy Relations As Predictive Tools for Polyalcohol Catalytic Reactivity

Zaffran, Jérémie, Michel, Carine, Auneau, Florian, Delbecq, Françoise, Sautet, Philippe

Journal:

Year:

2014

Language:

english

File:

PDF, 1.26 MB

english, 2014

5

Trade-Off between Accuracy and Universality in Linear Energy Relations for Alcohol Dehydrogenation on Transition Metals

Zaffran, Jérémie, Michel, Carine, Delbecq, Françoise, Sautet, Philippe

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.37 MB

english, 2015

6

Towards more accurate prediction of activation energies for polyalcohol dehydrogenation on transition metal catalysts in water

Zaffran, Jérémie, MICHEL, Carine, DELBECQ, Francoise, Sautet, Philippe

Journal:

Catalysis Science & Technology

Year:

2016

Language:

english

File:

PDF, 3.60 MB

english, 2016

7

Three fundamental questions on one of our best water oxidation catalysts: a critical perspective

Fidelsky, Vicky, Butera, Valeria, Zaffran, Jeremie, Toroker, Maytal Caspary

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 1.52 MB

english, 2016

8

Metal-Oxygen Bond Ionicity as an Efficient Descriptor for Doped NiOOH Photocatalytic Activity

Zaffran, Jeremie, Toroker, Maytal Caspary

Journal:

Year:

2016

Language:

english

File:

PDF, 1.25 MB

english, 2016

9

Benchmarking Density Functional Theory Based Methods To Model NiOOH Material Properties: Hubbard and van der Waals Corrections vs Hybrid Functionals

Zaffran, Jeremie, Caspary Toroker, Maytal

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 937 KB

english, 2016

10

Designing efficient doped NiOOH catalysts for water splitting with first principles calculations

Zaffran, Jeremie, Toroker, Maytal Caspary

Journal:

ChemistrySelect

Year:

2016

Language:

english

File:

PDF, 478 KB

english, 2016

11

Influence of electrolyte cations on Ni(Fe)OOH catalyzed oxygen evolution reaction

Zaffran, Jeremie, Stevens, Michaela Burke, Trang, Christina D.M., Nagli, Michael, Shehadéh, Mahran, Boettcher, Shannon W., Caspary Toroker, Maytal

Journal:

Chemistry of Materials

Year:

2017

Language:

english

File:

PDF, 1019 KB

english, 2017

12

A deep understanding of oxygen evolution reaction on two-dimensional NiO2 catalyst

Zaffran, Jeremie, Caspary Toroker, Maytal

Journal:

ChemElectroChem

Year:

2017

Language:

english

File:

PDF, 1.68 MB

english, 2017

13

Hydrogen Oxidation on Ni-Based Electrocatalysts: The Effect of Metal Doping

Davydova, Elena, Zaffran, Jérémie, Dhaka, Kapil, Toroker, Maytal, Dekel, Dario

Journal:

Year:

2018

Language:

english

File:

PDF, 2.01 MB

english, 2018

14

Ternary Ni-Co-Fe oxyhydroxide oxygen evolution catalysts: Intrinsic activity trends, electrical conductivity, and electronic band structure

Stevens, Michaela Burke, Enman, Lisa J., Korkus, Ester Hamal, Zaffran, Jeremie, Trang, Christina D. M., Asbury, James, Kast, Matthew G., Toroker, Maytal Caspary, Boettcher, Shannon W.

Journal:

Year:

2019

File:

PDF, 2.16 MB

2019

15

Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor

Yang, Kunran, Zaffran, Jeremie, Yang, Bo

Journal:

Physical Chemistry Chemical Physics

Year:

2020

Language:

english

File:

PDF, 2.04 MB

english, 2020

16

Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor

Yang, Kunran, Zaffran, Jeremie, Yang, Bo

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 2.04 MB

2020

17

Descriptor Design in the Computational Screening of Ni-based Catalysts with Balanced Activity and Stability for the Dry Reforming of Methane Reaction

Chen, Shuyue, Zaffran, Jeremie, Yang, Bo

Journal:

Year:

2020

File:

PDF, 913 KB

2020

18

Dry reforming of methane over the cobalt catalyst: Theoretical insights into the reaction kinetics and mechanism for catalyst deactivation

Chen, Shuyue, Zaffran, Jeremie, Yang, Bo

Journal:

Applied Catalysis B: Environmental

Year:

2020

Language:

english

File:

PDF, 1.30 MB

english, 2020

19

First-Principles-Based Microkinetic Simulations of CO2 Hydrogenation to Methanol over Intermetallic GaPd2: Method Development to Include Complex Interactions between Surface Adsorbates

Wu, Panpan, Zaffran, Jeremie, Xu, Dongyang, Yang, Bo

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 1.05 MB

2020

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