A review on the use of DFT for the prediction of the properties of nanomaterials

P Makkar, NN Ghosh - RSC advances, 2021 - pubs.rsc.org
Nanostructured materials have gained immense attraction because of their extraordinary
properties compared to the bulk materials to be used in a plethora of applications in myriad …

Opportunities and challenges in precise synthesis of transition metal single‐atom supported by 2D materials as catalysts toward oxygen reduction reaction

WJ Niu, JZ He, BN Gu, MC Liu… - Advanced Functional …, 2021 - Wiley Online Library
Transition metal single‐atom catalysts (SACs) are currently a hot area of research in the field
of electrocatalytic oxygen reduction reaction (ORR). In this review, the recent advances in …

Ultrafast transformation of natural graphite into self-supporting graphene as superior anode materials for lithium-ion batteries

H Qin, Z Mo, J Lu, X Sui, Z Song, B Chen, Y Zhang… - Carbon, 2024 - Elsevier
Graphite possesses remarkable potential as an anode material for lithium-ion batteries,
thanks to its superb electrical conductivity and eco-friendliness. Nevertheless, challenging …

Probing electron beam induced transformations on a single-defect level via automated scanning transmission electron microscopy

KM Roccapriore, MG Boebinger, O Dyck, A Ghosh… - ACS …, 2022 - ACS Publications
A robust approach for real-time analysis of the scanning transmission electron microscopy
(STEM) data streams, based on ensemble learning and iterative training (ELIT) of deep …

Tuning single-phase medium-entropy oxides derived from nanoporous NiCuCoMn alloy as a highly stable anode for Li-ion batteries

ZY Yu, Q Sun, H Li, ZJ Qiao, WJ Li, SL Chou, ZJ Zhang… - Rare Metals, 2023 - Springer
Incorporating four cations into a single-phase oxide is beneficial for maintaining structural
stability during Li+ insertion/desertion because of the produced entropy-dominated phase …

Scalable bottom-up synthesis of Co-Ni–doped graphene

V Chesnyak, D Perilli, M Panighel, A Namar… - Science …, 2024 - science.org
Introducing heteroatoms into graphene is a powerful strategy to modulate its catalytic,
electronic, and magnetic properties. At variance with the cases of nitrogen (N)–and boron …

Two-dimensional transition metal triborides: Monolayers with robust intrinsic magnetism and high spin stability

X Yao, L Wang, Y Sun, X Li, J Sun, B Wang, M He… - Physical Review B, 2022 - APS
Two-dimensional materials with intrinsic magnetism have provoked comprehensive
attentions due to their potential application in spintronics. In this work, a class of stable …

Physical insights into enhancing magnetic stability of 2D magnets

K Wang, K Ren, Y Hou, Y Cheng… - Journal of Applied Physics, 2023 - pubs.aip.org
Recently, two-dimensional (2D) magnets have drawn substantial attention from researchers
for their fascinating properties and great application potential in the fields of biomedicine …

Doping graphene with substitutional mn

PC Lin, R Villarreal, S Achilli, H Bana, MN Nair… - ACS …, 2021 - ACS Publications
We report the incorporation of substitutional Mn atoms in high-quality, epitaxial graphene on
Cu (111), using ultralow-energy ion implantation. We characterize in detail the atomic …

Designing workflows for materials characterization

SV Kalinin, M Ziatdinov, M Ahmadi, A Ghosh… - Applied Physics …, 2024 - pubs.aip.org
Experimental science is enabled by the combination of synthesis, imaging, and functional
characterization organized into evolving discovery loop. Synthesis of new material is …