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M

Marko Melander

university of jyväskylä

25H指数
126论文数
2.2K被引数
收录论文 44
发表时间
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Electrochemical Electron Transfer: Key Concepts; Theories; and Parameterization via Atomistic Simulations电化学电子转移：关键概念、理论和通过原子模拟的参数化
errChemical Reviews
IF55.8
err2026-06-25
err0
errOAAI
errMengke Zhang; Yanxia Chen; Marko M. Melander; Jun Huang
err分享
err收藏
DFT-Based Multiscale Modeling of Heterogeneous (Electro)Catalytic Reactions基于密度泛函理论的多尺度建模研究异质(电)催化反应
errACS Catalysis
IF13.1
err2026-02-19
err0
errOAAI
errMinttu M. Smith; Laureline Treps; Marko M. Melander; Vesa Apaja; Karoliina Honkala
err分享
err收藏
Potential-dependent polaron formation activates TiO2 for the hydrogen evolution reaction电位依赖性极化子的形成激活了TiO2的析氢反应
errNature Communications
IF15.7
err2026-01-28
err0
errOAAI
errTongwei Wu; Xiaoxi Guo; Guangjie Zhang; Yanning Zhang; Li Song; Zheng Liu; Hui Zhang; Shucheng Shi; Limin Liu; Marko M. Melander; Karoliina Honkala
err分享
err收藏
OH−-enhanced alkaline hydrogen evolution reaction at the Au(111) electrodeOH⁻增强的碱性析氢反应在Au(111)电极上
errJournal of Catalysis
IF6.5
err2025-10-31
err0
PREAI
errEr-Fei Zhen; Tao-Qi Zong; Bai-Quan Zhu; Li-Guo Cao; Lang Qin; Jun Cai; Marko M. Melander; Yan-Xia Chen
err分享
err收藏
Electronic structure methods for simulating the applied potential in semiconductor electrochemistry
errCURRENT OPINION IN ELECTROCHEMISTRY
IF6.9
err2025-02-01
err0
errOAAI
errMoradi, Kayvan; Melander, Marko M.
err分享
err收藏
Metal-water interface formation: Thermodynamics from ab initio molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-26
err2
PREAI
errDominguez-Flores, Fabiola; Kiljunen, Toni; Gross, Axel; Sakong, Sung; Melander, Marko M.
err分享
err收藏
Sequential Selective Dissolution of Coinage Metals in Recyclable Ionic Media
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-06-20
err1
errOAAI
errZupanc, Anze; Install, Joseph; Weckman, Timo; Melander, Marko M.; Heikkilae, Mikko J.; Kemell, Marianna; Honkala, Karoliina; Repo, Timo
err分享
err收藏
GPAW: An open Python package for electronic structure calculationsGPAW: 一个用于电子结构计算的开放Python包
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-07
err58
errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
err分享
err收藏
Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation
errCHEMCATCHEM
IF3.9
err2024-01-11
err4
errOAAI
errUgartemendia, Andoni; Mercero, Jose M.; de Cozar, Abel; Melander, Marko M.; Akola, Jaakko; Jimenez-Izal, Elisa
err分享
err收藏
Constant inner potential DFT for modelling electrochemical systems under constant potential and bias用于在恒定电势和偏置下对电化学系统进行建模的恒定内部电势DFT
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-01-05
err14
errOAAI
errMelander, Marko M.; Wu, Tongwei; Weckman, Timo; Honkala, Karoliina
err分享
err收藏
Theoretical advances in understanding the active site microenvironment toward the electrocatalytic nitrogen reduction reaction in media
errCURRENT OPINION IN ELECTROCHEMISTRY
IF6.9
err2023-12-01
err3
errOAAI
errWu, Tongwei; Melander, Marko M.; Honkala, Karoliina
err分享
err收藏
Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reduction阳离子引起的电催化CO2还原的内球和外球机制的变化
errNATURE COMMUNICATIONS
IF15.7
err2023-11-22
err32
errOAAI
errQin, Xueping; Hansen, Heine A.; Honkala, Karoliina; Melander, Marko M.
err分享
err收藏
Cations Determine the Mechanism and Selectivity of Alkaline Oxygen Reduction Reaction on Pt(111)
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-11-20
err6
errOAAI
errKumeda, Tomoaki; Laverdure, Laura; Honkala, Karoliina; Melander, Marko M.; Sakaushi, Ken
err分享
err收藏
2023 Roadmap on molecular modelling of electrochemical energy materials电化学能源材料的分子建模2023路线图
errJOURNAL OF PHYSICS-ENERGY
IF6.3
err2023-10-30
err11
errOAAI
errZhang, Chao; Cheng, Jun; Chen, Yiming; Chan, Maria K. Y.; Cai, Qiong; Carvalho, Rodrigo P.; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, C. Moyses; Chen, Ming; Ji, Xiangyu; Feng, Guang; Goloviznina, Kateryna; Serva, Alessandra; Salanne, Mathieu; Mandai, Toshihiko; Hosaka, Tomooki; Alhanash, Mirna; Johansson, Patrik; Qiu, Yun-Ze; Xiao, Hai; Eikerling, Michael; Jinnouchi, Ryosuke; Melander, Marko M.; Kastlunger, Georg; Bouzid, Assil; Pasquarello, Alfredo; Shin, Seung-Jae; Kim, Minho M.; Kim, Hyungjun; Schwarz, Kathleen; Sundararaman, Ravishankar
err分享
err收藏
Grand Canonical DFT Investigation of the CO2RR and HER Reaction Mechanisms on MoTe2 Edges
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-09-18
err12
errOAAI
errPedersen, Pernille D.; Melander, Marko M.; Bligaard, Thomas; Vegge, Tejs; Honkala, Karoliina; Hansen, Heine A.
err分享
err收藏
Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-Based Nanoclusters配体保护的Au25-Based纳米团簇析氢活性的计算标准
errACS CATALYSIS
IF13.1
err2023-06-22
err15
errOAAI
errLopez-Estrada, Omar; Mammen, Nisha; Laverdure, Laura; Melander, Marko M. M.; Hakkinen, Hannu; Honkala, Karoliina
err分享
err收藏
Approximating constant potential DFT with canonical DFT and electrostatic corrections
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-10
err23
errOAAI
errDominguez-Flores, Fabiola; Melander, Marko M. M.
err分享
err收藏
Frozen or dynamic? - An atomistic simulation perspective on the timescales of electrochemical reactions冻结还是动态？-电化学反应时间尺度的原子模拟视角
errELECTROCHIMICA ACTA
IF5.6
err2023-04-01
err11
errOAAI
errMelander, Marko M.
err分享
err收藏
Electrocatalytic rate constants from DFT simulations and theoretical models: Learning from each other
errCURRENT OPINION IN ELECTROCHEMISTRY
IF6.9
err2022-12-01
err26
errOAAI
errDominguez-Flores, Fabiola; Melander, Marko M.
err分享
err收藏
Coadsorption of NRR and HER Intermediates Determines the Performance of Ru-N4 toward Electrocatalytic N2 ReductionNRR和她的中间体的共吸附决定了Ru-N4对电催化N2还原的性能
errACS CATALYSIS
IF13.1
err2022-02-03
err113
errOAAI
errWu, Tongwei; Melander, Marko M.; Honkala, Karoliina
err分享
err收藏

研究方向

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