Godefroid Gahungu

CRSNE

H指数:14

被引数:692

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First-principles study on carbon nitride compounds as protective layers for zinc metal anodes

基于第一性原理研究氮化碳化合物作为锌金属阳极保护层的应用

Journal of Energy Storage

IF9.8

2026-08-010

PRE

First-principles insights into lithium‑silicon alloy as anode materials for lithium-ion batteries

基于第一性原理的锂硅合金作为锂离子电池负极材料的见解

Journal of Energy Storage

IF9.8

2026-01-090

PRE

Covalent triazine frameworks as a protective layer for zinc metal anodes: A DFT study

共价三嗪骨架作为锌金属阳极的保护层：一项DFT研究

Electrochimica Acta

IF5.6

2025-12-300

PRE

DFT reveals the superiority of dual homo 3d TM-doped over layer-homo 3d TM-doped MoP surface for HER and OER electrocatalytic activity

DFT揭示了双同质3d TM掺杂相较于层同质3d TM掺杂的MoP表面在HER和OER电催化活性方面的优越性。

Electrochimica Acta

IF5.6

2025-12-060

PRE

Enhancing HER and OER through the synergetic effect of metal and ligand in a metal-organic framework, a density functional theory study

通过金属-有机框架中金属与配体的协同效应增强析氢反应和析氧反应，一项密度泛函理论研究

Chemical Physics

IF2.4

2025-11-010

PRE

Molecular Simulation Evaluation on C2H2/CO2 Selective Adsorption in CoV-tcb Pacs-Type Metal-Organic Frameworks

LANGMUIR

IF3.9

2025-11-010

PRE

Unraveling the role of 3d transition metal anchoring on P-termination and doping on Mo-termination of MoP for water splitting catalysis. A DFT investigation

解析MoP在水分解催化中，3d过渡金属锚定于P端终止和掺杂于Mo端终止的作用。基于DFT的研究。

Electrochimica Acta

IF5.6

2025-08-050

PRE

Directed-regulation sodium metal deposition behavior and electrode interfacial structure via surface anchoring effect enable long-life and dendrite-free sodium metal anode

通过表面锚定效应定向调节金属钠沉积行为和电极界面结构，实现长寿命和无枝晶的金属钠阳极

JOURNAL OF POWER SOURCES

IF7.9

2025-04-010

PRE

Revealing the Triangular Entanglement of Hydrogen Bond Network via Kosmotropic Effect for Durable Aqueous Zinc-Ion Batteries

揭示 kosmotropic effect 对水系锌离子电池中氢键网络三角形纠缠的影响，以实现持久性能

ADVANCED FUNCTIONAL MATERIALS

IF19

2025-02-022

PRE

Anion Receptor-manipulated solvation chemistry and electric double layer enables high Zn-Utilization rate and lean Zn metal batteries

阴离子受体操纵的溶剂化化学和双电层实现了高锌利用率和贫锌金属电池

JOURNAL OF COLLOID AND INTERFACE SCIENCE

IF9.7

2025-02-010

PRE

First-principles calculations on CO2 hydrogenation to formic acid over a metal-doped boron phosphide

MOLECULAR CATALYSIS

IF4.9

2022-07-014

PRE

Judicious design functionalized 3D-COF to enhance CO2 adsorption and separation

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2021-03-1321

PREAI

Water-Robust Zinc-Organic Framework with Mixed Nodes and Its Handy Mixed-Matrix Membrane for Highly Effective Luminescent Detection of Fe3+, CrO42-, and Cr2O72- in Aqueous Solution

INORGANIC CHEMISTRY

IF4.7

2021-01-2072

PREAI

A Trinuclear Cobalt-Organic Framework: Solvatochromic Sensor towards CH2Cl2, and its Derivative as an Anode of Lithium-Ion Batteries with High Performance

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2020-10-016

PREAI

Molecular structure, IR, Raman and UV?VIS spectra of 2-cyanothiophene and 3-cyanothiophene: A comparative quantum chemical investigation

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

IF4.6

2020-10-017

PREAI

Chemical composition and oral toxicity assessment of Anisophyllea boehmii kernel oil: Potential source of new edible oil with high tocopherol content

FOOD CHEMISTRY

IF9.8

2019-04-0112

PREAI

Enhancing the blue phosphorescence of iridium complexes with a dicyclometalated phosphite ligand via aza-substitution: a density functional theory investigation

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2014-01-018

PREAI

DFT/TDDFT investigation on the electronic structures and photophysical properties of phosphorescent Ir(III) complexes with conjugated/non-conjugated carbene ligands

JOURNAL OF MATERIALS CHEMISTRY C

IF5.1

2013-01-0135

PRE

Effects of N-Substitution on Phosphorescence Efficiency and Color Tuning of a Series of Ir(III) Complexes with a Phosphite Tripod Ligand: A DFT/TDDFT Study

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2012-12-1145

PREAI

Theoretical study on photophysical properties of cyclometalated cationic iridium(III) complexes containing dipyrido[3,2-f:2′,3′-h]quinoxaline ligand

SYNTHETIC METALS

IF4.6

2012-09-014

PREAI

Godefroid Gahungu

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