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Björn Alling

Linköping University
H-index:44
Citation Count:5,830
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First-principles exploration of thermodynamic stability and mechanical properties of non-isostructural WB–TaB hard-coating alloys

第一性原理探索非同构WB–TaB硬质涂层合金的热力学稳定性和力学性能

Vacuum
IF3.9
2026-10-250
PRE
CrystalGRW: generative modeling of crystal structures with targeted crystallographic properties via geodesic random walks

CrystalGRW:通过测地线随机游走生成具有靶向晶体学性质的晶体结构

2026-08-310
OA
Decoding anomalous thermal transport in magnetic semiconductors
2026-01-020
PRE
Machine learning-accelerated density functional theory optimization of PtPd-based high-entropy alloys for hydrogen evolution catalysis

机器学习加速的密度泛函理论优化用于析氢催化的PtPd基高熵合金

2025-11-050
PRE
Effect of titanium alloying and boron vacancies on thermodynamic stability and mechanical properties of tantalum diboride

钛合金化及硼空位对二硼化钽热力学稳定性和力学性能的影响

2025-11-040
PRE
Thermodynamic Consideration and Mechanical Behavior of Boride-Containing Solid Solutions of Hafnium-Yttrium-Boron System Revealed by a First-Principles Analysis

热力学考虑及含硼化物的钽-钇-硼系固溶体的力学行为:基于第一性原理分析

2025-11-010
PRE
First-Principles Screening of 3d-Transition-Metal-Doped Hydrous Cobalt Phosphate Catalysts for Enhanced Oxygen Evolution Reaction

基于第一性原理筛选的3d过渡金属掺杂水合磷酸钴催化剂用于增强氧析出反应

2025-05-110
PRE
Machine-learning-accelerated density functional theory screening of Cu-based high-entropy alloys for carbon dioxide reduction to ethylene

用于二氧化碳还原为乙烯的Cu基高熵合金的机器学习加速密度泛函理论筛选

2025-03-010
PRE
Insight into phase stability and mechanical behavior of HfB2 and HfB12 under high pressures and high temperatures: A first-principles investigation
2025-02-010
PRE
Predicting the Curie temperature of magnetic materials with automated calculations across chemistries and structures
2024-11-190
OA
Charge transfer effects in (HfNbTiVZr)C-Shown by ab initio calculations and X-ray photoelectron spectroscopy

从头计算和x射线光电子能谱显示 (HfNbTiVZr)C-中的电荷转移效应

2024-07-180
OAAI
First-Principles Investigations on Effects of B-Site Substitution (B═Mn, Fe, and Co) on La-Based Perovskite Oxides As Bifunctional Electrocatalysts for Rechargeable Metal-Air Batteries
2024-04-160
PRE
Screening of Cu-Mn-Ni-Zn high-entropy alloy catalysts for CO2 reduction reaction by machine-learning-accelerated density functional theory

机器学习加速密度泛函理论筛选用于CO2还原反应的cu-mn-ni-zn高熵合金催化剂

2024-04-0114
PRE
The role of metal-doping on the enhanced electrocatalytic properties of α-MnO2 during oxygen reduction reaction
2024-02-013
PRE
On the enhanced performance of Pt-based high-entropy alloys catalyst during water-gas shift reaction: A density functional theory study
2023-06-015
PRE
Phase formation in CrFeCoNi nitride thin films
2023-05-055
OA
First-principles theory of the pressure-induced invar effect in FeNi alloys
2023-03-219
OA