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List of works by Agnieszka Kuc

Analytical approach to phonon calculations in the SCC-DFTB framework

scientific article published on 01 October 2020

CO2 reduction at low overpotential on Cu electrodes in the presence of impurities at the subsurface

Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and Dichalcogenides

scientific article published on 10 June 2013

Dithiol-Dithione Tautomerism of 2,3-Pyrazinedithiol in the Synthesis of Copper and Silver Coordination Compounds

scientific article published on 22 October 2020

Effect of compression on the electronic, optical and transport properties of MoS2/graphene-based junctions

Efficient Quantum Simulations of Metals within the Γ-Point Approximation: Application to Carbon and Inorganic 1D and 2D Materials.

scientific article published on 17 July 2012

Electromechanics in MoS₂ and WS₂: nanotubes vs. monolayers.

scientific article published on 16 October 2013

Electron transport in MoWSeS monolayers in the presence of an external electric field ⬇️

scientific article published on 29 April 2014

Evidence for Fe2+ in Wurtzite Coordination: Iron Doping Stabilizes ZnO Nanoparticles

article

Fe-Doped ZnO Nanoparticles: The Oxidation Number and Local Charge on Iron, Studied by57Fe Mößbauer Spectroscopy and DFT Calculations

article

H2Adsorption in Metal-Organic Frameworks: Dispersion or Electrostatic Interactions?

article

Hydrogen Sieving and Storage in Fullerene Intercalated Graphite

scientific article

Identification of Prime Factors to Maximize the Photocatalytic Hydrogen Evolution of Covalent Organic Frameworks

scientific article published on 30 April 2020

MFU-4 -- a metal-organic framework for highly effective H(2)/D(2) separation

scientific article published on 08 November 2012

Metal−Organic Frameworks: Structural, Energetic, Electronic, and Mechanical Properties

article

Novel characterization of the adsorption sites in large pore metal-organic frameworks: combination of X-ray powder diffraction and thermal desorption spectroscopy.

scientific article published in October 2012

On the Chemistry and Diffusion of Hydrogen in the Interstitial Space of Layered Crystals h-BN, MoS2 , and Graphite

scientific article published on 06 September 2019

On the reticular construction concept of covalent organic frameworks.

scientific article published on 22 November 2010

Phase-Transition-Induced Carrier Mass Enhancement in 2D Ruddlesden–Popper Perovskites

scientific article published on 4 September 2019

Photocarrier generation from interlayer charge-transfer transitions in WS2-graphene heterostructures

scientific article published on 2 February 2018

Shielding Nanowires and Nanotubes with Imogolite: A Route to Nanocables

scientific article published on 03 August 2009

Stability and electronic properties of 3D covalent organic frameworks ⬇️

scientific article published on December 5, 2012

Stabilization Mechanism of ZnO Nanoparticles by Fe Doping

scientific article published on 10 March 2014

Stacking in bulk and bilayer hexagonal boron nitride.

scientific article published on 17 July 2013

Temperature-Mediated Magnetism in Fe-Doped ZnO Semiconductors

The Structure of Layered Covalent‐Organic Frameworks ⬇️

scientific article published on January 21, 2011

Topological two-dimensional polymers

scientific article published on 01 April 2020

Twist-angle-dependent interlayer exciton diffusion in WS2-WSe2 heterobilayers

scientific article published on 11 May 2020

Two-Dimensional Noble-Metal Chalcogenides and Phosphochalcogenides

scientific article published on 17 February 2020

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