Articles with public access mandates - Saif UllahLearn more
Not available anywhere: 10
Hexagonal boron phosphide as a potential anode nominee for alkali-based batteries: A multi-flavor DFT study
S Ullah, PA Denis, F Sato
Applied Surface Science 471, 134-141, 2019
Mandates: Government of Spain
First-principles study of dual-doped graphene: towards promising anode materials for Li/Na-ion batteries
S Ullah, PA Denis, F Sato
New Journal of Chemistry 42 (13), 10842-10851, 2018
Mandates: Government of Spain
Tunable optoelectronic properties in h-BP/h-BAs bilayers: The effect of an external electrical field
S Ullah, PA Denis, MG Menezes, F Sato
Applied Surface Science 493, 308-319, 2019
Mandates: Government of Spain
Theoretical characterization of hexagonal 2D Be 3 N 2 monolayers
S Ullah, PA Denis, RB Capaz, F Sato
New Journal of Chemistry 43 (7), 2933-2941, 2019
Mandates: Government of Spain
Adsorption and diffusion of alkali‐atoms (Li, Na, and K) on BeN dual doped graphene
S Ullah, PA Denis, F Sato
International Journal of Quantum Chemistry 119 (11), e25900, 2019
Mandates: Government of Spain
Monolayer boron‐arsenide as a perfect anode for alkali‐based batteries with large storage capacities and fast mobilities
S Ullah, PA Denis, F Sato
International Journal of Quantum Chemistry 119 (18), e25975, 2019
Mandates: Government of Spain
Reduction chemistry of hexagonal boron nitride sheets and graphene: a comparative study on the effect of alkali atom doping on their chemical reactivity
PA Denis, S Ullah, F Iribarne
New Journal of Chemistry 44 (15), 5725-5730, 2020
Mandates: Government of Spain
Coupled cluster investigation of the interaction of beryllium, magnesium, and calcium with pyridine: Implications for the adsorption on nitrogen-doped graphene
S Ullah, PA Denis, F Sato
Computational and Theoretical Chemistry 1150, 57-62, 2019
Mandates: Government of Spain
Tunable and sizeable band gaps in strained SiC3/hBN vdW heterostructures: A potential replacement for graphene in future nanoelectronics
S Ullah, PA Denis, MG Menezes, F Sato
Computational Materials Science 188, 110233, 2020
Mandates: Government of Spain
Non-trivial band gaps and charge transfer in Janus-like functionalized bilayer boron
S Ullah, PA Denis, F Sato
Computational Materials Science 170, 109186, 2019
Mandates: Government of Spain
Available somewhere: 25
Beryllium doped graphene as an efficient anode material for lithium-ion batteries with significantly huge capacity: A DFT study
S Ullah, PA Denis, F Sato
Applied Materials Today 9, 333-340, 2017
Mandates: Government of Spain
Pore Distortion in a Metal–Organic Framework for Regulated Separation of Propane and Propylene
L Yu, X Han, H Wang, S Ullah, Q Xia, W Li, J Li, I Da Silva, P Manuel, ...
Journal of the American Chemical Society 143 (46), 19300-19305, 2021
Mandates: US Department of Energy, National Natural Science Foundation of China
Tuning Metal–Organic Framework (MOF) Topology by Regulating Ligand and Secondary Building Unit (SBU) Geometry: Structures Built on 8-Connected M6 (M …
X Li, J Liu, K Zhou, S Ullah, H Wang, J Zou, T Thonhauser, J Li
Journal of the American Chemical Society 144 (47), 21702-21709, 2022
Mandates: US Department of Energy, National Natural Science Foundation of China
Triple‐Doped Monolayer Graphene with Boron, Nitrogen, Aluminum, Silicon, Phosphorus, and Sulfur
S Ullah, PA Denis, F Sato
ChemPhysChem 18 (14), 1864-1873, 2017
Mandates: Government of Spain
A Microporous Metal–Organic Framework Incorporating Both Primary and Secondary Building Units for Splitting Alkane Isomers
L Yu, S Ullah, K Zhou, Q Xia, H Wang, S Tu, J Huang, HL Xia, XY Liu, ...
Journal of the American Chemical Society 144 (9), 3766-3770, 2022
Mandates: US Department of Energy, National Natural Science Foundation of China
Hydrogenation and Fluorination of 2D Boron Phosphide and Boron Arsenide: A Density Functional Theory Investigation
S Ullah, PA Denis, F Sato
ACS Omega 3 (12), 16416-16423, 2018
Mandates: Government of Spain
Switchable sensor and scavenger: detection and removal of fluorinated chemical species by luminescent metal-organic framework
H YIN, K Tan, S Jensen, S Teat, S Ullah, X Hei, E Velasco, K Oyekan, ...
Chemical Science 12 (42), 14189-14197, 2021
Mandates: US Department of Energy, National Natural Science Foundation of China
Temperature‐Programmed Separation of Hexane Isomers by a Porous Calcium Chloranilate Metal‐Organic Framework
Y Lin, L Yu, S Ullah, X Li, H Wang, Q Xia, T Thonhauser, J Li
Angewandte Chemie 134 (50), e202214060, 2022
Mandates: US Department of Energy, National Natural Science Foundation of China
A Water-Resistant hydrogen-bonded organic framework for ethane/ethylene separation in humid Environments
J Liu, J Miao, S Ullah, K Zhou, L Yu, H Wang, Y Wang, T Thonhauser, J Li
ACS Materials Letters 4 (6), 1227-1232, 2022
Mandates: US Department of Energy, National Natural Science Foundation of China
CO2 Capture by Hybrid Ultramicroporous TIFSIX‐3‐Ni under Humid Conditions Using Non‐Equilibrium Cycling
S Ullah, K Tan, D Sensharma, N Kumar, S Mukherjee, AA Bezrukov, J Li, ...
Angewandte Chemie International Edition 61 (35), e202206613, 2022
Mandates: US Department of Energy, Science Foundation Ireland, European Commission
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