Thomas D. Daff - Publications, H-index & Citations

Thomas D. Daff

University of Cambridge

16H指数

29论文数

2.8K被引数

收录论文 13

发表时间

Grand canonical approach to modeling hydrogen trapping at vacancies in α-Fe

PHYSICAL REVIEW MATERIALS

IF3.4

2020-06-22

OAAI

Davidson, E. R. M.; Daff, T.; Csanyi, G.; Finnis, M. W.

Imparting gas selective and pressure dependent porosity into a non-porous solid via coordination flexibility

MATERIALS HORIZONS

IF10.7

2019-01-01

PREAI

Nandi, Shyamapada; De Luna, Phil; Maity, Rahul; Chakraborty, Debanjan; Daff, Thomas; Burns, Thomas; Woo, Tom K.; Vaidhyanathan, Ramanathan

Idealized Carbon-Based Materials Exhibiting Record Deliverable Capacities for Vehicular Methane Storage

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-12-06

OAAI

Collins, Sean P.; Perim, E.; Daff, Thomas D.; Skaf, Munir S.; Galvao, Douglas S.; Woo, Tom K.

Understanding and mitigating hydrogen embrittlement of steels: a review of experimental, modelling and design progress from atomistic to continuum (vol 53, pg 6251, 2018)

JOURNAL OF MATERIALS SCIENCE

IF3.9

2018-04-05

OAAI

Barrera, O.; Bombac, D.; Chen, Y.; Daff, T. D.; Galindo-Nava, E.; Gong, P.; Haley, D.; Horton, R.; Katzarov, I.; Kermode, J. R.; Liverani, C.; Stopher, M.; Sweeney, F.

Understanding and mitigating hydrogen embrittlement of steels: a review of experimental, modelling and design progress from atomistic to continuum

JOURNAL OF MATERIALS SCIENCE

IF3.9

2018-02-06

315

OAAI

Barrera, O.; Bombac, D.; Chen, Y.; Daff, T. D.; Galindo-Nava, E.; Gong, P.; Haley, D.; Horton, R.; Katzarov, I.; Kermode, J. R.; Liverani, C.; Stopher, M.; Sweeney, F.

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

PHYSICAL REVIEW MATERIALS

IF3.4

2018-01-30

254

OAAI

Dragoni, Daniele; Daff, Thomas D.; Csanyi, Gabor; Marzari, Nicola

Materials design by evolutionary optimization of functional groups in metal-organic frameworks 基于金属有机框架中官能团进化优化的材料设计

SCIENCE ADVANCES

IF12.5

2016-11-04

OAAI

Collins, Sean P.; Daff, Thomas D.; Piotrkowski, Sarah S.; Woo, Tom K.

Evaluation of carbon nanoscroll materials for post-combustion CO2 capture

CARBON

IF11.6

2016-05-01

PREAI

Daff, Thomas D.; Collins, Sean P.; Dureckova, Hana; Perim, Eric; Skaf, Munir S.; Galvao, Douglas S.; Woo, Tom K.

A single-ligand ultra-microporous MOF for precombustion CO2 capture and hydrogen purification 用于燃烧前CO2捕获和氢气纯化的单配体超微孔MOF

SCIENCE ADVANCES

IF12.5

2015-12-04

141

OAAI

Nandi, Shyamapada; De Luna, Phil; Daff, Thomas D.; Rother, Jens; Liu, Ming; Buchanan, William; Hawari, Ayman I.; Woo, Tom K.; Vaidhyanathan, Ramanathan

Characterization of Zn-Containing Metal-Organic Frameworks by Solid-State 67Zn NMR Spectroscopy and Computational Modeling

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2012-09-03

OAAI

Sutrisno, Andre; Terskikh, Victor V.; Shi, Qi; Song, Zhengwei; Dong, Jinxiang; Ding, San Yuan; Wang, Wei; Provost, Bianca R.; Daff, Thomas D.; Woo, Tom K.; Huang, Yining

Phosphonate Monoesters as Carboxylate-like Linkers for Metal Organic Frameworks

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2011-11-29

PREAI

Iremonger, Simon S.; Liang, Junmei; Vaidhyanathan, Ramanathan; Martens, Isaac; Shimizu, George K. H.; Thomas, D. Daff; Aghaji, Mohammad Zein; Yeganegi, Saeid; Woo, Tom K.

Ab Initio Molecular Dynamics Simulations of the Cooperative Adsorption of Hydrazine and Water on Copper Surfaces: Implications for Shape Control of Nanoparticles

CHEMISTRY OF MATERIALS

IF7

2011-05-05

PREAI

Daff, Thomas D.; de Leeuw, Nora H.

Density Functional Theory Calculations of the Interaction of Hydrazine with Low-Index Copper Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2009-08-11

PREAI

Daff, Thomas D.; Costa, Dominique; Lisiecki, Isabelle; de Leeuw, Nora H.

研究方向