Frederik Tielens

Instituto de Catalisis y Petroleoquimica

H指数:42

被引数:5,253

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Site-selective Ti substitution controls the electronic and magnetic properties of M-type barium hexaferrite: A combined first-principles and experimental study

位选择性的Ti取代调控M型钡六方铁氧体的电子和磁学性质：一项结合第一性原理和实验的研究

Journal of Physics and Chemistry of Solids

IF4.9

2026-09-150

OAAI

Process monitoring of zeolite crystallization: Bridging in situ Raman spectroscopy, ex situ XRD, and predictive machine learning models

沸石结晶过程的监测：结合原位拉曼光谱、非原位XRD和预测机器学习模型

Chemical Engineering Journal

IF13.2

2026-09-011

OAAI

Structure-Spectra Relationships of Carbonate Defects in Hydroxyapatite Revealed by First-Principles Infrared Spectroscopy

羟基磷灰石中碳酸盐缺陷的结构-光谱关系由第一性原理红外光谱揭示

phys. chem. chem. phys.

IF0

2026-05-080

PRE

Unveiling the Early Species of Silica-Based Materials: Raman Characterization of Silica Oligomers

揭示硅基材料的早期物种：硅寡聚物的拉曼表征

Nano Letters

IF9.1

2026-04-270

PRE

CO Spillover Is Not a Promoter for C─C Bond Formation in CO2 Electroreduction on Cu-Ag Bimetallic Catalysts

CO溢出不是Cu-Ag双金属催化剂上CO2电还原中C─C键形成促进剂。

Advanced Science

IF14.1

2026-03-020

OAAI

Chemisorbed O2 and H2O–driven ROS generation on Ag13 cluster/SiO2 surface: a DFT study

化学吸附的O2和H2O驱动的ROS生成在Ag13团簇/SiO2表面：一项DFT研究

Applied Surface Science

IF6.9

2026-02-100

PRE

Exploring the vibrational Raman modes of P–O–P bonds in oligomeric sodium metaphosphates: a comprehensive DFT study

Computational Materials Science

IF3.3

2026-01-100

OAAI

Computational study of phosphorus-bearing molecule adsorption on amorphous silica: energetics and infrared signatures with relevance for interstellar and terrestrial chemistry

磷含分子在无定形二氧化硅上的吸附：能量学与红外特征计算研究——与星际和地球化学的相关性

Computational and Theoretical Chemistry

IF2.8

2026-01-010

PRE

Solid micellar catalysts: exploring the stability of Ru(III) single-sites in amorphous silica

固态胶束催化剂：探索无定形二氧化硅中Ru(III)单原子位的稳定性

Catal. Sci. Technol.

IF4.2

2025-07-300

Computational exploration of chalcone-based sensors: Thermodynamic and electronic contributions to arsenic (III) detection

基于查尔酮的传感器的计算探索：热力学和电子学对砷(III)检测的贡献

Computational and Theoretical Chemistry

IF2.8

2025-07-260

PRE

Preface to the catalysis today special issue “designing the future: Electro-, photo-, and thermo-chemical water splitting,”

《今日催化》特刊“设计未来：电化学、光化学和热化学水分解”序言

Catalysis Today

IF5.3

2025-05-290

PRE

Understanding the atomistic behavior of small molecules (O2 and N2) on monometallic M13 nanoparticles

CATALYSIS TODAY

IF5.3

2025-02-010

PRE

Electrolyte effects on reaction kinetics in electrochemical CO2 reduction: The roles of pH, cations, and anions

电解质对电化学CO2还原反应动力学的影响: pH，阳离子和阴离子的作用

CHEMICAL PHYSICS REVIEWS

IF6.2

2025-01-240

Impact of Li disorder on the open cell voltage profile of LixTi6O13 anodes: A theoretical study

Li无序对LixTi6O13阳极开路电压曲线的影响: 理论研究

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

IF4.6

2024-04-013

PRE

Computational investigation of the oxygen reduction reaction on the edges of differently-sized, shaped and terminated graphene nanoclusters

CARBON

IF11.6

2024-03-013

PRE

Self-grown Ag2O nanoparticles on Ag-NASICON material for efficient visible light photocatalysis

OPTICAL MATERIALS

IF4.2

2024-02-016

PRE

Theoretical predictions of alkali hexazirconate (A2Zr6O13, A = Li, Na, And K) as candidates for alkali ion batteries

MATERIALS ADVANCES

IF4.7

2024-01-010

Elucidating the impact of chemical variability on the nano-structure of Fe-rich slags

JOURNAL OF NON-CRYSTALLINE SOLIDS

IF3.5

2023-10-013

PRE

Special Issue Theoretical Calculation and Molecular Modeling of Nanomaterials

NANOMATERIALS

IF4.3

2023-09-010

OAAI

On the Origin of Raman Activity in Anatase TiO2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects

NANOMATERIALS

IF4.3

2023-06-1418

OAAI

Frederik Tielens

个人简介

教育背景

工作经历

荣誉奖项

研究方向