Search Results - "Lombardi, E.B."
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Spin-lattice dynamics simulation of the Einstein–de Haas effect
Published in Computational materials science (15-06-2022)“…The spin and lattice dynamics of a ferromagnetic nanoparticle are studied via molecular dynamics and with semi-classical spin dynamics simulations where spin…”
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Exploring defect engineering in monolayer TiS 3 for next-generation electronic devices: Insights from first-principles study
Published in Computational Condensed Matter (01-09-2024)Get full text
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Exploring defect engineering in monolayer TiS3 for next-generation electronic devices: Insights from first-principles study
Published in Computational Condensed Matter (01-09-2024)“…Titanium trisulfide monolayer (TiS3) is a quasi-1D crystal with promising applications in a range of fields, including photoelectrochemical cells and…”
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Tuning electronic structure of ZnO nanowires via 3d transition metal dopants for improved photo-electrochemical water splitting: An ab initio study
Published in Materials today communications (01-03-2021)“…ZnO nanowires have been proposed as potential photo-anode materials for photo-electrochemical water splitting due to their low toxicity, simple synthesis and…”
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A first principles study of lithium, sodium and aluminum in diamond
Published in Diamond and related materials (01-07-2008)“…Although diamond has been successfully n-type doped with phosphorus, the search for shallower n-type dopants in diamond has continued. Interstitial Li and Na…”
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Boron–hydrogen complexes in diamond: Energy levels and metastable states
Published in Physica. B, Condensed matter (15-12-2009)“…The shallow n-type doping of boron doped diamond with an excess of deuterium has attracted considerable attention. However, despite numerous studies, the…”
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Li and Na in diamond: A comparison of DFT models
Published in Physica. B, Condensed matter (15-12-2007)“…Interstitial Li and Na have been suggested as alternatives for achieving shallow n-type doping of diamond. Experimental results have however been…”
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Co in diamond: Ferromagnetic ordering of a transition metal in diamond
Published in Diamond and related materials (01-07-2008)“…Ferromagnetic ordering of dopants in semiconductors has attracted considerable interest, due to their relevance for “spintronic” applications. Diamond is a…”
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Boron–hydrogen complexes in diamond and their vibrational properties
Published in Diamond and related materials (01-05-2009)“…Diamond is a promising candidate material for high power, high temperature and high frequency electronics. Boron is well known as a shallow acceptor in…”
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Ab initio study of the passivation and interaction of substitutional impurities with hydrogen in diamond
Published in Diamond and related materials (01-03-2003)“…The production of n-type doped diamond has proved very difficult. Since boron, a shallow acceptor, can be passivated by hydrogen, it is possible that some of…”
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Journal Article Conference Proceeding