Search Results - "Schimmenti, Roberto"

Bismuthene for highly efficient carbon dioxide electroreduction reaction by Yang, Fa, Elnabawy, Ahmed O., Schimmenti, Roberto, Song, Ping, Wang, Jiawei, Peng, Zhangquan, Yao, Shuang, Deng, Ruiping, Song, Shuyan, Lin, Yue, Mavrikakis, Manos, Xu, Weilin

“…Bismuth (Bi) has been known as a highly efficient electrocatalyst for CO 2 reduction reaction. Stable free-standing two-dimensional Bi monolayer (Bismuthene)…”
Get full text

Eliminating dissolution of platinum-based electrocatalysts at the atomic scale by Lopes, Pietro P., Li, Dongguo, Lv, Haifeng, Wang, Chao, Tripkovic, Dusan, Zhu, Yisi, Schimmenti, Roberto, Daimon, Hideo, Kang, Yijin, Snyder, Joshua, Becknell, Nigel, More, Karren L., Strmcnik, Dusan, Markovic, Nenad M., Mavrikakis, Manos, Stamenkovic, Vojislav R.

“…A remaining challenge for the deployment of proton-exchange membrane fuel cells is the limited durability of platinum (Pt) nanoscale materials that operate at…”
Get full text

Boron Nitride‐supported Sub‐nanometer Pd6 Clusters for Formic Acid Decomposition: A DFT Study by Schimmenti, Roberto, Cortese, Remedios, Duca, Dario, Mavrikakis, Manos

“…A periodic, self‐consistent planewave DFT study was carried out to explore the potential use of Pd6 clusters supported on a boron nitride sheet as a catalyst…”
Get full text

Author Correction: Bismuthene for highly efficient carbon dioxide electroreduction reaction by Yang, Fa, Elnabawy, Ahmed O., Schimmenti, Roberto, Song, Ping, Wang, Jiawei, Peng, Zhangquan, Yao, Shuang, Deng, Ruiping, Song, Shuyan, Lin, Yue, Mavrikakis, Manos, Xu, Weilin

“…An amendment to this paper has been published and can be accessed via a link at the top of the paper…”
Get full text

HCOOH Decomposition on Sub-Nanometer Pd6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles by Schimmenti, Roberto, Mavrikakis, Manos

“…[Display omitted] •Hexagonal Boron-Nitride supporting Pd6 nanoclusters.•Boron vs Nitrogen vacancy.•Opposite charge transfer direction depending on vacancy…”
Get full text

HCOOH Decomposition on Sub-Nanometer Pd6 Cluster Catalysts: The Effect of Defective Boron Nitride Supports Through First Principles by Schimmenti, Roberto, Mavrikakis, Manos

“…The catalytic properties of a hexagonal boron nitride- (h-BN) supported Pd6 sub-nanometer cluster in the context of formic acid (HCOOH) decomposition were…”
Get full text

Solution-Phase Synthesis of PdH0.706 Nanocubes with Enhanced Stability and Activity toward Formic Acid Oxidation by Shi, Yifeng, Schimmenti, Roberto, Zhu, Shangqian, Venkatraman, Kartik, Chen, Ruhui, Chi, Miaofang, Shao, Minhua, Mavrikakis, Manos, Xia, Younan

“…Palladium is one of the few metals capable of forming hydrides, with the catalytic properties being dependent on the elemental composition and spatial…”
Get full text

Moiré Patterns in Pt Overlayers on Gold: A Graph Neural Network Interatomic Potential Study by Wolter, Trenton, Smith, Evangelos, Schimmenti, Roberto, Schiøtz, Jakob, Jacobsen, Karsten Wedel, Mavrikakis, Manos

“…Overlayer structures in bimetallic catalysts are relevant to a variety of catalytic reactions, particularly in electrocatalysis for fuel cell applications…”
Get full text

Optical method for quantifying the potential of zero charge at the platinum–water electrochemical interface by Xu, Pengtao, von Rueden, Alexander D., Schimmenti, Roberto, Mavrikakis, Manos, Suntivich, Jin

“…When an electrode contacts an electrolyte, an interfacial electric field forms. This interfacial field can polarize the electrode’s surface and nearby…”
Get full text

The role of coverage effects on the structure–sensitivity of formic acid electrooxidation on Pd surfaces by Papanikolaou, Konstantinos G., Shi, Yifeng, Schimmenti, Roberto, Xia, Younan, Mavrikakis, Manos

“…[Display omitted] •The structure–sensitivity of the electrooxidation of formic acid was extensively investigated on Pd(111), Pd(100), Pd(211) and Pd(110)…”
Get full text

The role of coverage effects on the structure–sensitivity of formic acid electrooxidation on Pd surfaces by Papanikolaou, Konstantinos G., Shi, Yifeng, Schimmenti, Roberto, Xia, Younan, Mavrikakis, Manos

“…Direct formic acid (FA) fuel cells (DFAFCs) with Pd anode catalysts are promising for small portable applications. During the electrooxidation of formic acid…”
Get full text

Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies by Yang, Yao, Peltier, Cheyenne R, Zeng, Rui, Schimmenti, Roberto, Li, Qihao, Huang, Xin, Yan, Zhifei, Potsi, Georgia, Selhorst, Ryan, Lu, Xinyao, Xu, Weixuan, Tader, Mariel, Soudackov, Alexander V, Zhang, Hanguang, Krumov, Mihail, Murray, Ellen, Xu, Pengtao, Hitt, Jeremy, Xu, Linxi, Ko, Hsin-Yu, Ernst, Brian G, Bundschu, Colin, Luo, Aileen, Markovich, Danielle, Hu, Meixue, He, Cheng, Wang, Hongsen, Fang, Jiye, DiStasio, Robert A, Kourkoutis, Lena F, Singer, Andrej, Noonan, Kevin J. T, Xiao, Li, Zhuang, Lin, Pivovar, Bryan S, Zelenay, Piotr, Herrero, Enrique, Feliu, Juan M, Suntivich, Jin, Giannelis, Emmanuel P, Hammes-Schiffer, Sharon, Arias, Tomás, Mavrikakis, Manos, Mallouk, Thomas E, Brock, Joel D, Muller, David A, DiSalvo, Francis J, Coates, Geoffrey W, Abruña, Héctor D

“…Hydrogen energy-based electrochemical energy conversion technologies offer the promise of enabling a transition of the global energy landscape from fossil…”
Get full text

DFT calculations on subnanometric metal catalysts: a short review on new supported materials by Cortese, Remedios, Schimmenti, Roberto, Prestianni, Antonio, Duca, Dario

“…Metal clusters have been used in catalysis for a long time, even in industrial production protocols, and a large number of theoretical and experimental studies…”
Get full text

Density Functional Theory Investigation on the Nucleation of Homo- and Heteronuclear Metal Clusters on Defective Graphene by Ferrante, Francesco, Prestianni, Antonio, Cortese, Remedios, Schimmenti, Roberto, Duca, Dario

“…Nucleation of homo- (Ni, Pd, Re, Pt) and heterometallic (Ni–Pd, Re–Pt) clusters on monovacancy sites of a graphene sheet has been investigated by means of…”
Get full text

A completely precious metal-free alkaline fuel cell with enhanced performance using a carbon-coated nickel anode by Gao, Yunfei, Yang, Yao, Schimmenti, Roberto, Murray, Ellen, Peng, Hanqing, Wang, Yingming, Ge, Chuangxin, Jiang, Wenyong, Wang, Gongwei, DiSalvo, Francis J, Muller, David A, Mavrikakis, Manos, Xiao, Li, Abruña, Héctor D, Zhuang, Lin

“…SignificanceWe present a groundbreaking advance in completely nonprecious hydrogen fuel cell technologies achieving a record power density of 200 mW/cm with…”
Get full text

Mechanistic Role of the Proton–Hydride Pair in Heteroarene Catalytic Hydrogenation by Cai, Haiting, Schimmenti, Roberto, Nie, Haoyu, Mavrikakis, Manos, Chin, Ya-Huei Cathy

“…Kinetic and density functional theory studies probe the catalytic involvements of proton–hydride pairs in breaking the strong aromaticity of N-containing…”
Get full text

Boron Nitride‐supported Sub‐nanometer Pd 6 Clusters for Formic Acid Decomposition: A DFT Study by Schimmenti, Roberto, Cortese, Remedios, Duca, Dario, Mavrikakis, Manos

“…Abstract A periodic, self‐consistent planewave DFT study was carried out to explore the potential use of Pd 6 clusters supported on a boron nitride sheet as a…”
Get full text

Solution-Phase Synthesis of PdH 0.706 Nanocubes with Enhanced Stability and Activity toward Formic Acid Oxidation by Shi, Yifeng, Schimmenti, Roberto, Zhu, Shangqian, Venkatraman, Kartik, Chen, Ruhui, Chi, Miaofang, Shao, Minhua, Mavrikakis, Manos, Xia, Younan

“…Palladium is one of the few metals capable of forming hydrides, with the catalytic properties being dependent on the elemental composition and spatial…”
Get full text

Thermodynamics of cyclodextrin–star copolymer threading–dethreading process by Lazzara, Giuseppe, Milioto, Stefana, Schimmenti, Roberto

“…We investigated the interactions of a star-like copolymer with cyclodextrins (CD) with different cavity size. Direct measurements of thermodynamic properties…”
Get full text

Graph-Based Analysis of Ethylene Glycol Decomposition on a Palladium Cluster by Cortese, Remedios, Schimmenti, Roberto, Ferrante, Francesco, Prestianni, Antonio, Decarolis, Donato, Duca, Dario

“…The ethylene glycol, CH2OH–CH2OH, decomposition mechanism, occurring on a subnanometric palladium cluster shaped by 12 atoms, was investigated by means of…”
Get full text