activity
20182025
most citedSelective control of localised vs. delocalised carriers in anatase TiO2 through reaction with O2

31 citations · 38 across the 7 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

13 papers · 1 filter

cond-mat.mtrl-sci2025

Influence of Hydrogen-Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium

L. J. Bannenberg, F. García-Martínez, P. Lömker +6

Palladium hydride is a model system for studying metal-hydrogen interactions. Yet, its bulk electronic structure has proven difficult to directly probe, with most studies to date l…

cond-mat.mtrl-sci2025

Simulation of Radiation Damage on [M(COD)Cl] using Density Functional Theory

Nathalie K. Fernando, Nayera Ahmed, Katherine Milton +3

Theoretical calculations of materials have in recent years shown promise in facilitating the analysis of convoluted experimental data. This is particularly invaluable in complex sy…

cond-mat.mtrl-sci2024

Atomic multiplet and charge-transfer screening effects in 1 and 2 core-level X-ray photoelectron spectra of early 3 transition-metal oxides

Tatsuya Yamaguchi, Keisuke Higashi, Anna Regoutz +5

We present a comparative analysis of 1 and 2 core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO and CrO. Even though the V 1 and 2

cond-mat.mtrl-sci2023

Revealing the bonding nature and electronic structure of early transition metal dihydrides

Curran Kalha, Laura E. Ratcliff, Giorgio Colombi +11

Hydrogen as a fuel plays a crucial role in driving the transition to net zero greenhouse gas emissions. To realise its potential, obtaining a means of efficient storage is paramoun…

cond-mat.mtrl-sci2022

Tackling Disorder in -GaO

Laura E. Ratcliff, Takayoshi Oshima, Felix Nippert +19

GaO and its polymorphs are attracting increasing attention. The rich structural space of polymorphic oxide systems such as GaO offers potential for electronic struc…

cond-mat.mtrl-sci20227 cited

Evaluation of the Thermal Stability of TiW/Cu Heterojunctions Using a Combined SXPS and HAXPES Approach

Curran Kalha, Michael Reisinger, Pardeep. K. Thakur +7

Power semiconductor device architectures require the inclusion of a diffusion barrier to suppress, or at best prevent the interdiffusion between the copper metallisation interconne…