Sökning: "Anton Grigoriev"

Hittade 4 avhandlingar innehållade orden Anton Grigoriev.

  1. 1. Molecular Alligator Clips: A Study of Metal-Molecule Contacts for Molecular Electronics

    Författare :Anton Grigoriev; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; nonequilibrium Green s functions; single crystal surfaces; nanostructures; chemisorption; selenium; low index single crystal surface; density functional calculations; organic molecules; sulphur; nonequilibrium electron transport; gold;

    Sammanfattning : In this thesis we present a computational study of the elementary building blocks for molecular electronics, interconnected electronic devices with critical dimensions below 5 nm. Building electronic circuits on that scale requires stable connection between the various parts of the device and to the macroscopic metal electrodes, needed for power supply, support and integration with conventional electronics. LÄS MER

  3. 2. Theoretical studies of a nanoparticle bridge platform for molecular electronics measurements

    Författare :Henrik Löfås; Rajeev Ahuja; Jan Isberg; Anton Grigoriev; Gemma Solomon; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : The main focus of this thesis is the theoretical investigations of a nanogap platform used for molecular electronics measurements under ambient conditions. The nanogap is about 20 nm wide, while the molecules investigated here (octanethiol(OT) and octanedithiol(ODT)) are about 1-1.5 nm long making it impossible to bridge the gap with one molecule. LÄS MER

  4. 3. Computational Studies of 2D Materials : Application to Energy Storage and Electron Transport in Nanoscale Devices

    Författare :Vivekanand Shukla; Rajeev Ahuja; Anton Grigoriev; Sudip Chakraborty; Kristian Sommer Thygesen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Non-equilibrium Green s function; 2D materials; Energy storage; Electron transport;

    Sammanfattning : The field of two-dimensional (2D) layered materials provides a new platform for studying diverse physical phenomena that are scientifically interesting and relevant for technological applications. Novel applications in electronics and energy storage harness the unique electronic, optical, and mechanical properties of 2D materials for design of crucial components. LÄS MER

  5. 4. Water Splitting Mechanism on 2D Catalytic Materials : DFT based Theoretical Investigations

    Författare :John Wärnå; Rajeev Ahuja; Sudip Chakraborty; Anton Grigoriev; Henrik Ottosson; Naurang Saini; Uppsala universitet; []
    Nyckelord :Physics and Astronomy specializing in Theoretical Physics; Fysik och astronomi med inriktning mot teoretisk fysik; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : In this thesis, we have envisaged systematic investigation to predict the water splitting mechanism on ultra-thin two-dimensional (2D) materials using cutting edge computation. Three different families of materials are considered as the case studies - i.MX2 (where M= W and Pt) based transition metal dichalcogenides, ii. LÄS MER