Publications in V-Sustain

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2018
02 NOV

DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide

Iron carbide encapsulated in graphitic layers has recently been recognized as an active oxygen reduction reaction (ORR) catalyst made of earth-abundant elements. Here...

09 OCT

Promising quaternary chalcogenides as high-band-gap semiconductors for tandem...

Significantly high efficiency of the photoelectrochemical (PEC) water splitting process can be achieved by using two semiconductors in a tandem device. The smaller band...

14 SEP

Trends in Activity and Dissolution on RuO2 under Oxygen Evolution Conditions...

Rutile RuO2 catalysts are the most active pure metal oxides for oxygen evolution; however, they are also unstable toward dissolution. Herein, we study the catalytic activity...

07 SEP

The Computational 2D Materials Database. high-throughput modeling and discovery...

We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties...

23 AUG

Deposition of methylammonium iodide via evaporation – combined kinetic and mass...

Methylammonium lead halide perovskites have recently emerged as a very attractive and versatile material for solar cell production. Several different perovskite fabrication...

22 AUG

Active‐Phase Formation and Stability of Gd-Pt(111) Electrocatalysts for Oxygen...

Alloys of platinum and gadolinium present significant activity enhancement over pure Pt for the oxygen reduction reaction (ORR), both in the form of extended electrode...

22 AUG

Estimating complete band diagrams of non-ideal heterointerfaces by combining ellipsometry...

In this work, we show that spectroscopic ellipsometry can be combined with photoemission spectroscopy to obtain complete interface band diagrams of non-ideal semiconductor...

15 AUG

DFT study of stabilization effects on N-doped graphene for ORR catalysis

Noble metal free catalysts, such as N-doped graphene, have drawn a lot of attention as a promising replacement for platinum in low temperature fuel cells. Computational...

03 AUG

Enhanced Oxygen Reduction Activity by Selective Anion Adsorption on Non-Precious...

Non-precious-metal catalysts (NPMC) are promising alternatives to platinum-based catalysts for the oxygen reduction reaction (ORR), which is the cathode reaction in fuel...

01 AUG

Nondestructive Thickness Mapping of Wafer-Scale Hexagonal Boron Nitride Down to...

The availability of an accurate, nondestructive method for measuring thickness and continuity of two-dimensional (2D) materials with monolayer sensitivity over large areas...

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