Luis Miguel Azofra
机构: Universidad de Las Palmas de Gran Canaria
每年引用次数
引用次数
引用: 3,865
H-指数: 27
I10-指数 : 53
出版物: 76
DFT modelling tools in CO2 conversion: reaction mechanism screening and analysis
Chenghua Sun , Luis Miguel Azofra
Electrochemical reduction of carbon dioxide: overcoming the limitations of photosynthesis (series=RSC Energy and Environment Series no. 21) / Frank Marken, David Fermin (eds.) 6 ( 21) 136
2018
Single-Site Molybdenum on Solid Support Materials for Catalytic Hydrogenation of N2 -into-NH3.
Albert Poater , Balamurugan Vidjayacoumar , Natalia Morlanés , Manoja K Samantaray
Angewandte Chemie 57 ( 48) 15812 -15816
27
2018
Need for Rationally Designed SnWO4 Photo(electro)catalysts to Overcome the Performance Limitations for O2 and H2 Evolution Reactions
Jean-Marie Basset , Moussab Harb , Luis Miguel Azofra , Luigi Cavallo
Journal of Physical Chemistry C 125 ( 16) 8488 -8496
6
2021
Unraveling the Causes of the Instability of Aun(SR)x Nanoclusters on Au(111)
Tim Albrecht , Evangelina Pensa , Pilar Carro , Luis Miguel Azofra
Chemistry of Materials 33 ( 9) 3428 -3435
2021
Substituent Effects in the Noncovalent Bonding of SO2 to Molecules Containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond.
Luis Miguel Azofra , Steve Scheiner
Journal of Physical Chemistry A 118 ( 21) 3835 -3845
38
2014
Why is a proton transformed into a hydride by [NiFe] hydrogenases? An intrinsic reactivity analysis based on conceptual DFT
Siyao Qiu , Luis Miguel Azofra , Douglas R. MacFarlane , Chenghua Sun
Physical Chemistry Chemical Physics 18 ( 22) 15369 -15374
8
2016
A DFT study of planar vs. corrugated graphene-like carbon nitride (g-C3N4) and its role in the catalytic performance of CO2 conversion
Luis Miguel Azofra , Douglas R. MacFarlane , Chenghua Sun
Physical Chemistry Chemical Physics 18 ( 27) 18507 -18514
113
2016
An exploration of the ozone dimer potential energy surface.
Luis Miguel Azofra , Ibon Alkorta , Steve Scheiner
Journal of Chemical Physics 140 ( 24) 244311
7
2014
Complexes containing CO2 and SO2. Mixed dimers, trimers and tetramers.
Luis Miguel Azofra , Steve Scheiner
Physical Chemistry Chemical Physics 16 ( 11) 5142 -5149
26
2014
Promising prospects for 2D d2–d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammonia
Luis Miguel Azofra , Neng Li , Douglas R. MacFarlane , Chenghua Sun
Energy and Environmental Science 9 ( 8) 2545 -2549
184
2016
Role of Oxidized Mo Species on the Active Surface of Ni–Mo Electrocatalysts for Hydrogen Evolution under Alkaline Conditions
Jeremy A. Bau , Sergey M. Kozlov , Luis Miguel Azofra , Samy Ould-Chikh
ACS Catalysis 10 ( 21) 12858 -12866
44
2020
Theoretical study of the mutarotation of erythrose and threose: acid catalysis
Luis Miguel Azofra , Ibon Alkorta , José Elguero
Carbohydrate Research 372 1 -8
10
2013
Conformational study of the open-chain and furanose structures of D-erythrose and D-threose
Luis Miguel Azofra , Ibon Alkorta , José Elguero , Paul L.A. Popelier
Carbohydrate Research 358 96 -105
24
2012
Feasibility of N2 Binding and Reduction to Ammonia on Fe-Deposited MoS2 2D Sheets: A DFT Study
Luis Miguel Azofra , Chenghua Sun , Luigi Cavallo , Douglas R. MacFarlane
Chemistry: A European Journal 23 ( 34) 8275 -8279
172
2017
Mechanisms of formation of hemiacetals: intrinsic reactivity analysis.
Luis Miguel Azofra , Ibon Alkorta , José Elguero , Alejandro Toro-Labbé
Journal of Physical Chemistry A 116 ( 31) 8250 -8259
18
2012
Carbohydrates in the gas phase: conformational preference of D-ribose and 2-deoxy-D-ribose
Luis Miguel Azofra , María Mar Quesada-Moreno , Ibon Alkorta , Juan Ramón Avilés-Moreno
New Journal of Chemistry 38 ( 2) 529 -538
20
2014
In silico design of novel NRR electrocatalysts: cobalt-molybdenum alloys.
Blanca Castellano-Varona , Moussab Harb , Javier Araña , Luigi Cavallo
Chemical Communications 56 ( 87) 13343 -13346
11
2020
Stabilisation of dianion dimers trapped inside cyanostar macrocycles
Luis Miguel Azofra , José Elguero , Ibon Alkorta
Physical Chemistry Chemical Physics 22 ( 20) 11348 -11353
4
2020
Understanding the Aldo‐Enediolate Tautomerism of Glycolaldehyde in Basic Aqueous Solutions
Luis Miguel Azofra , María Mar Quesada-Moreno , Ibon Alkorta , Juan Ramón Avilés-Moreno
ChemPhysChem 16 ( 10) 2226 -2236
5
2015
Electro-synthesis of ammonia from nitrogen at ambient temperature and pressure in ionic liquids
Fengling Zhou , Luis Miguel Azofra , Muataz Ali , Mega Kar
Energy and Environmental Science 10 ( 12) 2516 -2520
454
2017