General Lab Information

Nijamudheen Abdulrahiman

Research Associate, Artificial Photosynthesis Group, Chemistry Division

Nijamudheen Abdulrahiman

Brookhaven National Laboratory

Chemistry Division
Bldg. 555
P.O. Box 5000
Upton, NY 11973-5000

Research | Education | Appointments | Publications

Research Activities

Artificial Photosynthesis

Research Interests

  • Computational mechanistic studies of homogeneous and heterogeneous catalysis.
  • Excited state nonadiabatic molecular dynamics in photocatalysts and photovoltaics.
  • Theoretical investigation of interfacial reactions and materials for energy storage based on beyond Li-ion battery technologies.


  • PhD., Indian Association for the Cultivation of Sciences, India, 2015.
  • Master of Science, Cochin University of Science and Technology, India, 2010.
  • Bachelor of Science, Calicut University, India, 2008.

Professional Appointments

  • Postdoctoral Researcher, University at Buffalo (SUNY), USA, 2016-2018.
  • Postdoctoral Researcher, Florida State University, USA, 2018-2019.
  • Research Associate, Brookhaven National Laboratory, USA, 2019-present.

Selected Publications

  • Nijamudheen A, Kanega R, Onishi N, Himeda Y, Fujita E, Ertem MZ (2021) Distinct Mechanisms and Hydricities of Cp*Ir-Based CO2 Hydrogenation Catalysts in Basic Water. ACS Catalysis 11:5776–5788. doi: 10.1021/acscatal.0c04772
  • Hui J, Nijamudheen A, Sarbapalli D, Xia C, Qu Z, Mendoza-Cortes JL, Rodríguez-López J (2021) Nernstian Li+ intercalation into few-layer graphene and its use for the determination of K+ co-intercalation processes. Chemical Science 12:559–568. doi: 10.1039/d0sc03226c
  • Nijamudheen A, Sarbapalli D, Hui J, Rodríguez-López J, Mendoza-Cortes JL (2020) Impact of Surface Modification on the Lithium, Sodium, and Potassium Intercalation Efficiency and Capacity of Few-Layer Graphene Electrodes. ACS Applied Materials & Interfaces 12:19393–19401. doi: 10.1021/acsami.9b23105
  • Choudhury S, Tu Z, Nijamudheen A, Zachman MJ, Stalin S, Deng Y, Zhao Q, Vu D, Kourkoutis LF, Mendoza-Cortes JL, Archer LA (2019) Stabilizing polymer electrolytes in high-voltage lithium batteries. Nature Communications. doi: 10.1038/s41467-019-11015-0
  • Nijamudheen A, Datta A (2019) Gold-Catalyzed Cross-Coupling Reactions: An Overview of Design Strategies, Mechanistic Studies, and Applications. Chemistry – A European Journal 26:1442–1487. doi: 10.1002/chem.201903377
  • Nijamudheen A, Akimov AV (2017) Criticality of Symmetry in Rational Design of Chalcogenide Perovskites. The Journal of Physical Chemistry Letters 9:248–257. doi: 10.1021/acs.jpclett.7b02589
  • Nijamudheen A, Akimov AV (2017) Excited-State Dynamics in Two-Dimensional Heterostructures: SiR/TiO2 and GeR/TiO2 (R = H, Me) as Promising Photocatalysts. The Journal of Physical Chemistry C 121:6520–6532. doi: 10.1021/acs.jpcc.7b00545
  • Nijamudheen A, Bhattacharjee R, Choudhury S, Datta A (2015) Electronic and Chemical Properties of Germanene: The Crucial Role of Buckling. The Journal of Physical Chemistry C 119:3802–3809. doi: 10.1021/jp511488m
  • Roy SR, Nijamudheen A, Pariyar A, Ghosh A, Vardhanapu PK, Mandal PK, Datta A, Mandal SK (2014) Phenalenyl in a Different Role: Catalytic Activation through the Nonbonding Molecular Orbital. ACS Catalysis 4:4307–4319. doi: 10.1021/cs5010695
  • Nijamudheen A, Karmakar S, Datta A (2014) Understanding the Mechanisms of Unusually Fast H?H, C?H, and C?C Bond Reductive Eliminations from Gold(III) Complexes. Chemistry - A European Journal 20:14650–14658. doi: 10.1002/chem.201403867
  • Nijamudheen A, Jose D, Shine A, Datta A (2012) Molecular Balances Based on Aliphatic CH−π and Lone-Pair−π Interactions. The Journal of Physical Chemistry Letters 3:1493–1496. doi: 10.1021/jz300473v