Publications

Monitoring oxygen production on mass-selected iridium–tantalum oxide electrocatalysts

Ya-Rong Zheng, Jerome Vernieres, Zhenbin Wang, Ke Zhang, Degenhart Hochfilzer, Kevin Krempl, Ting-Wei Liao, Francesco Presel, Thomas Altantzis, Jarmo Fatermans, Soren Bertelsen Scott, Niklas Mørch Secher, Choongman Moon, Pei Liu, Sara Bals, Sandra Van Aert, Ang Cao, Megha Anand, Jens K. Nørskov, Jakob Kibsgaard and Ib Chorkendorff

Published: December 9, 2021

Nature Energy, 2021, DOI: 10.1038/s41560-021-00948-w

Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces

Hao Li, Sara Kelly, Dan Guevarra, Zhenbin Wang, Yu Wang, Joel A. Haber, Megha Anand, G. T. Kasun Kalhara Gunasooriya, Christina S. Abraham Sudarshan Vijay, John M. Gregoireand and Jens K. Nørskov

Published: May 24, 2021

Nature Catalysis, 2021, DOI: 10.1038/s41929-021-00618-w

Electrochemical oxidation of molecular nitrogen to nitric acid – towards a molecular level understanding of the challenges

Megha Anand, Christina S. Abraham and Jens K. Nørskov

Published: April 9, 2021

Chem. Sci., 2021, 12 (18), 6442-6448, DOI: 10.1039/D1SC00752A

Scaling Relationships and Volcano Plots in Homogeneous Catalysis

Megha Anand, Brian A. Rohr, Michael J. Statt and Jens K. Nørskov

Published: September 15, 2020

J. Phys. Chem. Lett., 2020, 11 (20), 8518–8526, DOI: 10.1021/acs.jpclett.0c01991


Scaling Relations in Homogeneous Catalysis: Analyzing the Buchwald–Hartwig Amination Reaction

Megha Anand and Jens K. Nørskov

Published: November 25, 2019

ACS Catalysis, 2020, 10 (1), 336-345, DOI: 10.1021/acscatal.9b04323


Is silver a mere terminal oxidant in palladium catalyzed C–H bond activation reactions?

Bangaru Bhaskararao, Sukriti Singh, Megha Anand, Pritha Verma, Prafull Prakash, Athira C, Santanu Malakar, Henry F. Schaefer III and Raghavan B. Sunoj

Published: November 13, 2019

Chem. Sci., 2020, 11, 208-216, DOI: 10.1039/C9SC04540F


Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes

Megha Anand, Samira Siahrostami and Jens K. Nørskov

Published: November 13, 2018

ChemCatChem, 2018, 10 (23), 5505-5510, DOI: 10.1002/cctc.201801408


Palladium–Silver Cooperativity in an Aryl Amination Reaction through C–H Functionalization

Megha Anand, Raghavan B. Sunoj and Henry F. Schaefer III

Published: December 29, 2015

ACS Catalysis, 2016, 6 (2), 696-708, DOI: 10.1021/acscatal.5b02639


Hydrogen bond–aromaticity cooperativity in self‐assembling 4‐pyridone chains

Megha Anand, Israel Fernández, Henry F. Schaefer III and Judy I-Chia Wu

Published: June 23, 2015

J. Comput. Chem., 2016, 37, 59– 63, DOI: 10.1002/jcc.23976


Non-innocent Additives in a Palladium(II)-Catalyzed C–H Bond Activation Reaction: Insights into Multimetallic Active Catalysts

Megha Anand, Raghavan B. Sunoj and Henry F. Schaefer III

Published: April 3, 2014

Journal of the American Chemical Society, 2014, 136 (15), 5535-5538, DOI: 10.1021/ja412770h


Mechanism of Cooperative Catalysis in a Lewis Acid Promoted Nickel-Catalyzed Dual C–H Activation Reaction

Megha Anand and Raghavan B. Sunoj

Published: August 16, 2012

Organic Letters, 2012, 14 (17), 4584-4587, DOI: 10.1021/ol302047c


Role of Explicit Solvents in Palladium(II)-Catalyzed Alkoxylation of Arenes: An Interesting Paradigm for Preferred Outer-Sphere Reductive Elimination over Inner-Sphere Pathway

Megha Anand and Raghavan B. Sunoj

Published: August 6, 2012

Organometallics, 2012, 31 (17), 6466-6481, DOI: 10.1021/om300681e


Microsolvated transition state models for improved insight into chemical properties and reaction mechanisms

Raghavan B. Sunoj and Megha Anand

Published: July 18, 2012

Phys. Chem. Chem. Phys., 2012, 14, 12715-12736, DOI: 10.1039/C2CP41719G


Palladium(II)-Catalyzed Direct Alkoxylation of Arenes: Evidence for Solvent-Assisted Concerted Metalation Deprotonation

Megha Anand and Raghavan B. Sunoj

Published: August 22, 2011

Organic Letters, 2011, 13 (18), 4802-4805, DOI: 10.1021/ol201830r