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Cornelio Delesma

Universidad Nacional Autonoma de Mexico

H指数:8

被引数:212

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Ti-doped -graphyne with N/O co-dopants for efficient capture of NO₃, CO₂, and CO: A DFT study

Ti掺杂的<span class="math"> <math> <mi is="true">γ</mi> </math></span>-炔石墨与N/O共掺杂剂用于高效捕获NO<sub>3</sub>、CO<sub>2</sub>和CO：一项DFT研究

IF11.6

2026-09-250

OA

Exploring TM-Doped arsenene allotropes (TM = Ti, Ni, Ag) as efficient materials for CO, NO and N₂O gas capture: Insights from DFT

探索TM掺杂的砷烯同素异形体（TM = Ti, Ni, Ag）作为高效CO、NO和N<sub>2</sub>O气体捕获材料：来自DFT的见解

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

IF2.9

2026-09-130

OAAI

A crystallographic model for the CH3NH3Pb(I,Clx)3-x/TiO2 interface and the effect of chlorine on the electron density distribution in perovskite solar cells

CH3NH3Pb(I，Clx)3-x/TiO2界面的晶体学模型以及氯对钙钛矿太阳能电池中电子密度分布的影响

Surfaces and Interfaces

IF6.3

2025-12-270

OAAI

The influence of electron transport at perovskite/carbon interfaces to tailor photosupercapacitor devices: A DFT approach

钙钛矿/碳界面电子传输对定制光超级电容器器件的影响：一种DFT方法

IF6.6

2025-11-050

OAAI

Understanding pseudocapacitance and the SO 32− reduction mechanism on Fe 3O 4 electrode surface: A combined theoretical and experimental study

理解Fe3O4电极表面上的赝电容和SO32−还原机制：一项理论结合实验的研究

Electrochimica Acta

IF5.6

2025-10-100

OAAI

Development of a Crystallographic Model of the Interface (CH3NH3Pb(I,Clx)3-x / TiO2) from HRTEM Images and the Effect the CL in the Electron Density Distribution of the Perovskite Solar Cells

Microscopy and Microanalysis

IF3

2025-07-250

OA

Eco-friendly catalyst design: Transforming volcanic lava ashes into sustainable synthesis of glycerol carbonate from glycerol in one pot solvent-free route

绿色催化剂设计：将火山岩浆灰转化为甘油碳酸酯的可持续合成，通过甘油的一锅无溶剂路线

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING

IF7.2

2025-04-010

PRE

Tailoring aqueous electrolytes based on M = Li, Na and K for the a-MnO2 electrode and its applications for energy storage devices: A DFT approach

为a-MnO2电极定制基于M = Li，Na和K的水性电解质及其在储能装置中的应用: DFT方法

APPLIED SURFACE SCIENCE

IF6.9

2025-03-010

OAAI

Understanding electron transport on hybrid perovskite/carbon allotropes for energy conversion and storage applications: A first principles study

IF6.6

2023-05-010

PRE

Electronic transport in organic photovoltaic materials subjected to dark and light irradiation conditions: A first principles study

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2022-12-010

PRE

The anthocyanin's role on the food metabolic pathways, color and drying processes: An experimental and theoretical approach

FOOD BIOSCIENCE

IF5.9

2022-06-0112

PRE

Understanding the heterogeneous catalytic mechanisms of glycerol carbonate synthesis on oil palm ash surface: A density functional theory approach

IF7.5

2022-01-0110

PRE

Understanding CO2 conversion into hydrocarbons via a photoreductive process supported on the Cu2O(100), (110) and (111) surface facets: A first principles study

通过Cu2O(100)，(110) 和 (111) 表面方面支持的光还原过程了解CO2转化为碳氢化合物: 第一原理研究

IF7.5

2021-12-0117

PREAI

Unveiling the electronic structure nature of twisted hybrid perovskites for solar cell applications: A combined experimental and theoretical study

IF6.6

2021-10-013

PREAI

Surfactant free solvothermal synthesis of Cu3BiS3 nanoparticles and the study of band alignments with n-type window layers for applications in solar cells: Experimental and theoretical approach

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2021-06-0112

PREAI

Photoisomerization and its effect in the opto-electronic properties of organic photovoltaic materials: A quantum chemistry study

JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

IF4.7

2021-03-015

PREAI

Exploring the potential of graphene oxide as a functional material to produce hydrocarbons via photocatalysis: Theory meets experiment

IF7.5

2020-07-0116

PREAI

Understanding the drying kinetics of phenolic compounds in strawberries: An experimental and density functional theory study

INNOVATIVE FOOD SCIENCE & EMERGING TECHNOLOGIES

IF6.8

2020-03-0113

PREAI

Density Functional study on the transesterification of triacetin assisted by cooperative weak interactions via a gold heterogeneous catalyst: Insights into biodiesel production mechanisms

IF7.5

2017-08-0111

OAAI