Shobhana Narasimhan
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Indian scientist
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Physics
Why Is Shobhana Narasimhan Influential?
(Suggest an Edit or Addition)According to Wikipedia, Shobhana Narasimhan is an Indian academic who is Professor of Theoretical Sciences at the Jawaharlal Nehru Centre for Advanced Scientific Research in Bangalore, India. Her main area of interest is computational nanoscience. Her research examines how the lowering of dimensionality and reduction of size affect material properties. She is a Fellow of the Indian Academy of Sciences.
Shobhana Narasimhan's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Methane and carbon dioxide adsorption on edge-functionalized graphene: a comparative DFT study. (2012) (98)
- Ab initio calculation of the thermal properties of Cu: Performance of the LDA and GGA (2001) (93)
- Tuning the morphology of gold clusters by substrate doping. (2011) (51)
- Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory Study (2014) (43)
- Studies on thermal expansion and XPS of urania–thoria solid solutions (2000) (27)
- Interplay between bonding and magnetism in the binding of NO to Rh clusters. (2007) (25)
- On the Importance of Epitaxial Strain at a Spin-Crossover Molecule-Metal Interface. (2019) (23)
- Reconstruction of Pt(111) and domain patterns on close-packed metal surfaces (2002) (23)
- Size dependence of structural, electronic, elastic, and optical properties of selenium nanowires: a first-principles study. (2008) (22)
- Reversing Size‐Dependent Trends in the Oxidation of Copper Clusters through Support Effects (2018) (19)
- Point defects in twisted bilayer graphene: A density functional theory study (2014) (19)
- Electronic properties of Fe clusters on a Au(111) surface (2011) (19)
- A Model for the Thermal Expansion of Ag(111) and other Metal Surfaces (1996) (18)
- Selective control of molecule charge state on graphene using tip-induced electric field and nitrogen doping (2019) (18)
- Harmonic and anharmonic properties of Fe and Ni: Thermal expansion, exchange-correlation errors, and magnetism (2010) (17)
- Ordered surface alloy of bulk-immiscible components stabilized by magnetism. (2010) (17)
- Symmetries, vibrational instabilities, and routes to stable structures of clusters of Al, Sn, and As. (2004) (16)
- Tuning spin transport properties and molecular magnetoresistance through contact geometry. (2014) (16)
- Change of cobalt magnetic anisotropy and spin polarization with alkanethiolates self-assembled monolayers (2015) (14)
- Descriptor-Based Rational Design of Two-Dimensional Self-Assembled Nanoarchitectures Stabilized by Hydrogen Bonds (2017) (13)
- Physical origins of weak H2 binding on carbon nanostructures: insight from ab initio studies of chemically functionalized graphene nanoribbons. (2014) (13)
- Non-FCC rich Au crystallites exhibiting unusual catalytic activity (2017) (12)
- Harvesting Delayed Fluorescence in Perovskite Nanocrystals Using Spin-Forbidden Mn d States (2020) (12)
- Structure of Cr monolayer on Ag(001): A buried two-dimensional c (2 ×2 ) antiferromagnet (2015) (11)
- Bond stiffening in small nanoclusters and its consequences for mechanical and thermal properties (2008) (11)
- Ab initio lattice dynamics of Ag(1 1 0) (2002) (10)
- Reversed anisotropies and thermal contraction of fcc (110) surfaces (2000) (10)
- SixC1−xO2 alloys: A possible route to stabilize carbon-based silica-like solids? (2007) (10)
- Elastic and chemical contributions to the stability of magnetic surface alloys on Ru(0001) (2008) (10)
- Graphene oxide as an optimal candidate material for methane storage. (2015) (9)
- Trends in the electronic structure of extended gold compounds: implications for use of gold in heterogeneous catalysis. (2012) (9)
- Elastic displacements and step interactions on metallic surfaces: Grazing-incidence x-ray diffraction and ab initio study of Au(332) (2010) (9)
- Effective coordination as a predictor of adsorption energies: A model study of NO on Rh(100) and Rh/MgO(100) surfaces (2009) (9)
- Substrate doping: A strategy for enhancing reactivity on gold nanocatalysts by tuning sp bands. (2015) (9)
- Effect of coordination on bond properties: A first principles study (2008) (9)
- Stars and stripes. Nanoscale misfit dislocation patterns on surfaces (2002) (8)
- Cooperative particle rearrangements facilitate the self-organized growth of colloidal crystal arrays on strain-relief patterns (2020) (8)
- Multipolar polarizabilities and Rydberg states (1985) (8)
- Effective coordination number: A simple indicator of activation energies for NO dissociation on Rh(100) surfaces (2009) (8)
- Lifting of Ir{100} reconstruction by CO adsorption: an ab initio study. (2007) (8)
- Adsorption of methane on single metal atoms supported on graphene: Role of electron back-donation in binding and activation. (2020) (7)
- Dielectric properties of Si3−ξGeξN4 and Si3−ξCξN4: A density functional study (2013) (7)
- Direct observation of the reduction of a molecule on nitrogen pairs in doped graphene. (2020) (7)
- Structure-property relationship of π-extended boron-dipyrromethene derivatives towards optoelectronic applications (2017) (7)
- Ab initio calculations on the anomalous thermal behaviour of fcc(1 1 0) surfaces (2001) (5)
- Using first principles calculations to interpret XANES experiments: extracting the size-dependence of the (p , T) phase diagram of sub-nanometer Cu clusters in an O2 environment (2019) (5)
- Inducing wetting morphologies and increased reactivities of small Au clusters on doped oxide supports. (2018) (5)
- Phonon softening and the anomalous thermal expansion of Ag(111) (1998) (4)
- Ab initio and cluster expansion study of surface alloys of Fe and Au on Ru(0001) and Mo(110): Importance of magnetism (2013) (4)
- Erratum: Elastic stress domains and the herringbone reconstruction on Au(111) (Physical Review Letters (1992) 69, 16, (2455)) (1992) (4)
- Bromine as a Preferred Etchant for Si Surfaces in the Supersaturation Regime: Insights from Calculations of Atomic Scale Reaction Pathways (2016) (4)
- Spin-polarized surface states on Fe-deposited Au(111) surface: A theoretical study (2012) (4)
- Competition between elastic and chemical effects in the intermixing of Co and Ag on Rh(111) (2008) (4)
- Comparison between s- and d-electron mediated transport in a photoswitching dithienylethene molecule using ab initio transport methods (2011) (3)
- A simple descriptor for binding and charge transfer at blue phosphorene-metal interfaces (2019) (3)
- O 2 alloys : A possible route to stabilize carbon-based silica-like solids ? (2007) (3)
- NixPt1−x/Rh(111): A stable surface alloy with enhanced magnetic moments (2009) (3)
- Descriptor for the Efficacy of Aliovalent Doping of Oxides and Its Application for the Charging of Supported Au Clusters (2019) (3)
- Ferrimagnetic cluster formation due to oxygen vacancies in CaFe2O4−δ (2018) (3)
- Participation of women in science in the developed and developing worlds: inverted U of feminization of the scientific workforce, gender equity and retention (2021) (3)
- Prediction of reconstruction in heteroepitaxial systems using the Frenkel-Kontorova model (2011) (3)
- Women in Physics in India, 2005 (2005) (3)
- Enhanced hydrogen evolution reactivity on Mo2C–Mo2N composites (2020) (2)
- Rotation in an Enantiospecific Self‐Assembled Array of Molecular Raffle Wheels (2021) (2)
- Support work function as a descriptor and predictor for the charge and morphology of deposited Au nanoparticles. (2020) (2)
- Diffusion barriers, growth pathways, and scaling relations for small supported metal clusters. (2019) (2)
- Women in Physics in India—2008 (2009) (2)
- Stress, strain, and charge transfer in Ag/Pt(111): A test of continuum elasticity theory (2004) (2)
- Towards gender equity in physics in India: Initiatives, investigations, and questions (2015) (2)
- Double stripe reconstruction of the Pt(111) surface (2003) (2)
- Tuning patterning conditions by co-adsorption of gases: Br2 and H2 on Si(001). (2013) (2)
- Enhanced hydrogen evolution reactivity on $${\mathrm{Mo}}_2{\mathrm{C}}$$ Mo 2 C (2020) (2)
- A handle on the scandal: Data driven approaches to structure prediction (2020) (2)
- A simple descriptor and predictor for the stable structures of two-dimensional surface alloys (2017) (2)
- Mixing and magnetic properties of surface alloys: The role of the substrate (2009) (1)
- Size-selective Pt siderophores based on redox active azo-aromatic ligands† (2020) (1)
- Leveraging Polar Discontinuities to Tune the Binding of Methanol on BCN and Graphene–BN Lateral Heterostructures (2021) (1)
- Theoretical Study of Spin Conduction in the Ni/DTE/Ni Nanohybrid (2013) (1)
- Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR (2022) (1)
- Blue and black phosphorene on metal substrates: a density functional theory study. (2021) (1)
- Electronic structure of a buried two-dimensional antiferromagnetic layer: Experimental and theoretical investigation of Ag/Cr/Ag(001) (2018) (1)
- Gender diversity in physics in India: Interventions so far and recommendations for the future (2013) (1)
- Erratum: “Tuning spin transport properties and molecular magnetoresistance through contact geometry” [J. Chem. Phys.140, 044716 (2014)] (2014) (1)
- Crossword (2011) (0)
- Leaving and entering a career in physics (2013) (0)
- Effects of Rh coordination and surface strain on NO dissociation (2007) (0)
- Intersections 1: A (mostly) Scientific Crossword (2021) (0)
- HONEYCOMBS, TRIANGLES AND BRIGHT STARS: THE ADATOM-INDUCED RECONSTRUCTION OF PT(111) (2003) (0)
- Intersections 3: A (mostly) Scientific Crossword (2021) (0)
- Atomic warrior (2001) (0)
- Intersections 7: A (mostly) Scientific Crossword (2022) (0)
- Intersections 12: A (mostly) Scientific Crossword (2022) (0)
- Magnetism of surface alloys of the type M x N 1- x /Rh(1 1 1) (2011) (0)
- Crossword (2012) (0)
- Hum Kohn Hai (2017) (0)
- Intersections 10: A (mostly) Scientific Crossword (2022) (0)
- A tryst with density (2017) (0)
- Lowering Effective Coordination Promotes Adsorption of NO on Rh(100) and Rh/MgO(100)surfaces (2008) (0)
- Intersections 8: A (mostly) Scientific Crossword (2022) (0)
- Intersections 9: A (mostly) Scientific Crossword (2022) (0)
- Intersections 5: A (mostly) Scientific Crossword (2021) (0)
- Intersections 7: A (mostly) Scientific Crossword (2022) (0)
- Evolution of geometric and electronic structures of oxygen-induced superstructures on Mo(110) surface: A LEED, ARPES, and DFT study (2022) (0)
- Crossword (2009) (0)
- Hum Kohn Hai (2017) (0)
- First principles pseudopotential calculations on aluminum and aluminum alloys (1993) (0)
- Stress‐Driven Nanopatterning in Metallic Systems (2011) (0)
- Intersections 10: A (mostly) Scientific Crossword (2022) (0)
- Intersections 10: A (mostly) Scientific Crossword (2022) (0)
- Intersections 8: A (mostly) Scientific Crossword (2022) (0)
- Intersections 6: A (mostly) Scientific Crossword (2022) (0)
- Unusually Large Thermal Expansion of Ag(111) (1995) (0)
- First-principles study of methane adsorption on defective graphitic nanostructures (2009) (0)
- Bond Stiffening in Nanoclusters and its Consequences (2007) (0)
- Erratum to: Crossword (2019) (0)
- Intersections 2: A (mostly) Scientific Crossword (2021) (0)
- Erratum to: Crossword (2019) (0)
- Intersections 13: A (mostly) Scientific Crossword (2022) (0)
- Intersections 9: A (mostly) Scientific Crossword (2022) (0)
- Intersections 1: A (mostly) Scientific Crossword (2021) (0)
- Crossword (2013) (0)
- Intersections 6: A (mostly) Scientific Crossword (2022) (0)
- Surprises in the physics of metal surfaces (2013) (0)
- Crossword (2013) (0)
- Intersecting Parallels: Humboldt the Great Explorer and Gauss the Prince of Mathematics (2021) (0)
- Elastic displacements and step interactions on metallic surfaces: GIXD and ab initio study of Au(332) (2010) (0)
- Intersections 8: A (mostly) Scientific Crossword (2022) (0)
- Intersections 9: A (mostly) Scientific Crossword (2022) (0)
- Intersections 4: A (mostly) Scientific Crossword (2021) (0)
- Intersections 9: A (mostly) Scientific Crossword (2022) (0)
- Intersections 14: A (mostly) Scientific Crossword (2022) (0)
- Intersections 5: A (mostly) Scientific Crossword (2022) (0)
- Intersections 12: A (mostly) Scientific Crossword (2022) (0)
- Intersections 11: A (mostly) Scientific Crossword (2022) (0)
- Intersections 3: A (mostly) Scientific Crossword (2021) (0)
- Spin Spirals in Surface Alloys on Ru(0001): A First-principles Study (2014) (0)
- Graphene oxide as a candidate material for natural gas storage: A first principles study (2015) (0)
- Intersections 6: A (mostly) Scientific Crossword (2022) (0)
- Intersections 6: A (mostly) Scientific Crossword (2022) (0)
- Topological Phase Transitions Induced by Giant Strains Produced by Chemical Pressure (2019) (0)
- India: Shed the bad science image (2014) (0)
- Identification and Manipulation of Defects in Black Phosphorus. (2022) (0)
- Intersections 7: A (mostly) Scientific Crossword (2022) (0)
- Intersections 7: A (mostly) Scientific Crossword (2022) (0)
- Intersections 1: A (mostly) Scientific Crossword (2021) (0)
- Intersections 11: A (mostly) Scientific Crossword (2022) (0)
- Distribution of Electron Charge Centres: A Picture of Bonding Based on Geometric Phases (2006) (0)
- Cover Feature: Reversing Size‐Dependent Trends in the Oxidation of Copper Clusters through Support Effects (Eur. J. Inorg. Chem. 1/2018) (2018) (0)
- Intersections 8: A (mostly) Scientific Crossword (2021) (0)
- Crossword (2010) (0)
- Intersecting Parallels: Humboldt the Great Explorer and Gauss the Prince of Mathematics (2021) (0)
- Intersections 4: A (mostly) Scientific Crossword (2021) (0)
- Intersections 4: A (mostly) Scientific Crossword (2021) (0)
- Computational Materials Design Using DFT Databases and Descriptors (2019) (0)
- Intersections 2: A (mostly) Scientific Crossword (2021) (0)
- Bond Stiffening in Small Clusters, and its Consequences (2007) (0)
- Intersections 11: A (mostly) Scientific Crossword (2022) (0)
- A tryst with density (2017) (0)
- Intersections 12: A (mostly) Scientific Crossword (2022) (0)
- Intersections 1: A (mostly) Scientific Crossword (2021) (0)
- Intersections 5: A (mostly) Scientific Crossword (2022) (0)
- Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu (2003) (0)
- Teaching Density Functional Theory Through Experiential Learning (2015) (0)
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