activity
19982026
most citedAtomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals

84 citations · 132 across the 16 of their papers we have counts for

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Showing 2026Show all

5 papers · 1 filter

astro-ph.GA2026

XRISM Resolves the Circum-nuclear Environment of NGC 4945

Peter G. Boorman, Poshak Gandhi, Yoshihiro Ueda +31

Compton-thick Active Galactic Nuclei (AGN) represent one of the most elusive phases of massive black hole growth, yet are expected to contribute substantially to the Cosmic X-ray B…

stat.ME2026

Estimating Item Difficulty with Large Language Models as Experts

Diana Kolesnikova, Kirill Fedyanin, Abe D. Hofman +2

Accurate estimates of item difficulty are essential for valid assessment and effective adaptive learning. However, for newly created tasks, response data are typically unavailable.…

cond-mat.mtrl-sci2026

Engineering Electrochromism in Ni-Deficient NiO through Defect, Dopant, and Strain Coupling

Katarina Jakovljević, Ana S. Dobrota, Igor A. Pašti +1

The electrochromic response of Ni-deficient NiO is governed by vacancy-mediated electronic processes that can be strongly influenced by dopant chemistry and lattice deformation. Us…

cond-mat.mtrl-sci2026

Defect-Engineered h-BN as a Platform for Single-Atom HER Catalysts: Descriptor Screening Refined by Electrochemical Stability Analysis

Ana S. Dobrota, Natalia V. Skorodumova, Igor A. Pašti

Defect engineering enables hexagonal boron nitride (h-BN) to act as a platform for stabilizing isolated metal atoms, yet systematic identification of catalytically viable motifs re…

cond-mat.mtrl-sci2026

Single-Atom Adsorption on h-BN along the Periodic Table of Elements: From Pristine Surface to Vacancy-Engineered Sites

Ana S. Dobrota, Natalia V. Skorodumova, Igor A. Pašti

The adsorption of single atoms on pristine and defected hexagonal boron nitride (h-BN) was systematically investigated using density functional theory. Elements from the first thre…