{"id":"https://openalex.org/W2800890402","doi":null,"title":"Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries","display_name":"Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries","publication_year":2015,"publication_date":"2015-11-20","ids":{"openalex":"https://openalex.org/W2800890402","mag":"2800890402"},"language":"en","primary_location":{"id":"pmh:oai:oaktrust.library.tamu.edu:1969.1/156452","doi":null,"is_oa":false,"landing_page_url":"https://oaktrust.library.tamu.edu/bitstreams/705b36e4-46d2-4428-a09e-cb49f3c8697f/download","pdf_url":null,"source":{"id":"https://openalex.org/S4306400291","display_name":"OakTrust (Texas A&M University Libraries)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I91045830","host_organization_name":"Texas A&M University","host_organization_lineage":["https://openalex.org/I91045830"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Thesis"},"volume":null,"type":"dissertation","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5091847748","display_name":"Taylor W. Smith","orcid":"https://orcid.org/0000-0002-2441-8415","observed_orcids":["https://orcid.org/0000-0002-2441-8415"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Taylor W. Smith","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0002-2441-8415","affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5091847748"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10281","display_name":"Advanced Battery Materials and Technologies","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10018","display_name":"Advancements in Battery Materials","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11690","display_name":"Aqueous and Flow Batteries","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/lithium-sulfur-batteries","display_name":"lithium-sulfur batteries","score":1.0},{"id":"https://openalex.org/keywords/lithium-metal-anode","display_name":"lithium metal anode","score":0.8309999704360962},{"id":"https://openalex.org/keywords/electrolyte-composition","display_name":"electrolyte composition","score":0.8220000267028809},{"id":"https://openalex.org/keywords/polysulfide-shuttle-effect","display_name":"polysulfide shuttle effect","score":0.9440000057220459},{"id":"https://openalex.org/keywords/polysulfide-reduction","display_name":"polysulfide reduction","score":0.8519999980926514},{"id":"https://openalex.org/keywords/electrolyte-stability","display_name":"electrolyte stability","score":0.7900000214576721},{"id":"https://openalex.org/keywords/solvent-reduction","display_name":"solvent reduction","score":0.5770000219345093},{"id":"https://openalex.org/keywords/ethylene-carbonate","display_name":"ethylene carbonate","score":0.9440000057220459},{"id":"https://openalex.org/keywords/fluorinated-ethers","display_name":"fluorinated ethers","score":0.7070000171661377},{"id":"https://openalex.org/keywords/anode-electrolyte-interface","display_name":"anode-electrolyte interface","score":0.6930000185966492}],"concepts":[{"id":"https://openalex.org/C2777379467","wikidata":"https://www.wikidata.org/wiki/Q81043","display_name":"Polysulfide","level":4,"score":0.9439330101013184},{"id":"https://openalex.org/C2778541603","wikidata":"https://www.wikidata.org/wiki/Q152763","display_name":"Lithium (medication)","level":2,"score":0.6976841688156128},{"id":"https://openalex.org/C68801617","wikidata":"https://www.wikidata.org/wiki/Q162908","display_name":"Electrolyte","level":3,"score":0.6824284195899963},{"id":"https://openalex.org/C89395315","wikidata":"https://www.wikidata.org/wiki/Q181232","display_name":"Anode","level":3,"score":0.6104248762130737},{"id":"https://openalex.org/C2777464112","wikidata":"https://www.wikidata.org/wiki/Q899170","display_name":"Lithium\u2013sulfur battery","level":4,"score":0.5530574321746826},{"id":"https://openalex.org/C518881349","wikidata":"https://www.wikidata.org/wiki/Q682","display_name":"Sulfur","level":2,"score":0.5386433601379395},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.4855203628540039},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.4747486710548401},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.445279598236084},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.15781554579734802},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.1556299328804016},{"id":"https://openalex.org/C17525397","wikidata":"https://www.wikidata.org/wiki/Q176140","display_name":"Electrode","level":2,"score":0.10276338458061218},{"id":"https://openalex.org/C126322002","wikidata":"https://www.wikidata.org/wiki/Q11180","display_name":"Internal medicine","level":1,"score":0.04541206359863281},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.044480711221694946},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:oaktrust.library.tamu.edu:1969.1/156452","doi":null,"is_oa":false,"landing_page_url":"https://oaktrust.library.tamu.edu/bitstreams/705b36e4-46d2-4428-a09e-cb49f3c8697f/download","pdf_url":null,"source":{"id":"https://openalex.org/S4306400291","display_name":"OakTrust (Texas A&M University Libraries)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I91045830","host_organization_name":"Texas A&M University","host_organization_lineage":["https://openalex.org/I91045830"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Thesis"},{"id":"mag:2800890402","doi":null,"is_oa":false,"landing_page_url":"https://oaktrust.library.tamu.edu/bitstream/1969.1/156452/1/SMITH-THESIS-2015.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.878000020980835}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":36,"referenced_works":["https://openalex.org/W1966538814","https://openalex.org/W1970127494","https://openalex.org/W1970556289","https://openalex.org/W1970905334","https://openalex.org/W1979516228","https://openalex.org/W1981368803","https://openalex.org/W1982339678","https://openalex.org/W1983127320","https://openalex.org/W1993132449","https://openalex.org/W1998637717","https://openalex.org/W2004261298","https://openalex.org/W2007357164","https://openalex.org/W2007395042","https://openalex.org/W2013572715","https://openalex.org/W2015475877","https://openalex.org/W2025153890","https://openalex.org/W2028548790","https://openalex.org/W2035395460","https://openalex.org/W2038845148","https://openalex.org/W2044915653","https://openalex.org/W2070861830","https://openalex.org/W2076259992","https://openalex.org/W2077424072","https://openalex.org/W2079105963","https://openalex.org/W2084104548","https://openalex.org/W2106699811","https://openalex.org/W2110820875","https://openalex.org/W2113095835","https://openalex.org/W2125765205","https://openalex.org/W2129266749","https://openalex.org/W2147534675","https://openalex.org/W2154494894","https://openalex.org/W2316548329","https://openalex.org/W2322422453","https://openalex.org/W2324000835","https://openalex.org/W2324704560"],"related_works":["https://openalex.org/W2287448044","https://openalex.org/W2753153412","https://openalex.org/W4391615545","https://openalex.org/W2796535976","https://openalex.org/W2905212980","https://openalex.org/W3212988826","https://openalex.org/W2528262003","https://openalex.org/W2797245807","https://openalex.org/W2386449273","https://openalex.org/W4281710677"],"abstract_inverted_index":{"In":[0,253],"attempting":[1],"to":[2,10,55,111,198],"develop":[3],"energy":[4],"storage":[5],"systems":[6,185,335],"possessing":[7],"superior":[8],"properties":[9,337],"traditional":[11],"lithium":[12,97,107,203,218,296],"ion":[13],"batteries":[14],"(LIBs),":[15],"numerous":[16],"alternative":[17],"chemistries":[18],"have":[19,50,336],"undergone":[20],"study":[21],"and":[22,73,96,138,144,180,189,209,216,223,244,257,273,304],"development.":[23],"Of":[24],"these,":[25],"the":[26,32,56,71,81,89,101,106,114,142,147,151,164,191,200,234,241,251,255,281,284,292,295,309,316],"lithium-sulfur":[27,52,117,153,184],"battery":[28,53,154],"seems":[29],"one":[30],"of":[31,48,60,64,70,83,91,146,150,172,182,187,202,246,259,283,288,294,311,318,339],"more":[33],"promising":[34],"contenders":[35],"for":[36,40,236],"replacing":[37],"LIBs,":[38],"particularly":[39],"applications":[41],"like":[42],"electric":[43],"vehicles.":[44],"Nevertheless,":[45],"a":[46,159,168,214,230,322],"variety":[47],"limitations":[49],"prevented":[51],"introduction":[54],"marketplace,":[57],"in":[58,87,109,126,233,239,280,291,315],"spite":[59],"almost":[61],"fifty":[62],"years":[63],"research,":[65],"including":[66],"polysulfide":[67,94,289,313],"shuttle,":[68],"reactivity":[69],"electrolyte,":[72],"anodic":[74],"microstructure":[75],"evolution.":[76],"This":[77],"thesis":[78],"will":[79,177],"explore":[80],"use":[82],"first-principles":[84],"computational":[85],"techniques":[86],"understanding":[88,171],"impact":[90],"electrolyte":[92,207],"composition,":[93],"molecules,":[95],"crystal":[98,204],"structure":[99,205],"on":[100,158,206],"reactions":[102],"taking":[103],"place":[104],"near":[105],"anode":[108],"order":[110,197],"better":[112,169],"address":[113],"problems":[115],"facing":[116,193],"batteries.":[118],"Using":[119],"ab":[120],"initio":[121],"molecular":[122,160],"dynamics":[123],"simulations":[124,287],"(AIMD),":[125],"conjunction":[127],"with":[128],"static":[129],"density":[130],"functional":[131],"theory":[132],"(DFT)":[133],"optimizations,":[134],"Bader":[135],"charge":[136],"analysis,":[137],"additional":[139],"analytical":[140],"techniques,":[141],"interactions":[143],"impacts":[145],"different":[148],"components":[149],"typical":[152],"can":[155],"be":[156],"examined":[157],"basis.":[161],"It":[162],"is":[163,321],"author\u2019s":[165],"hope":[166],"that":[167,265,331],"theoretical":[170],"how":[173],"these":[174],"species":[175],"behave":[176],"enable":[178],"design":[179],"implementation":[181],"real-world":[183],"capable":[186,338],"meeting":[188],"overcoming":[190],"difficulties":[192],"their":[194],"commercialization.":[195],"\\n\\nIn":[196],"test":[199],"effects":[201,256],"stability":[208,258],"surface":[210,220,242,297],"morphology":[211,243],"evolution,":[212],"both":[213,240],"(100)":[215],"(110)":[217],"metal":[219],"were":[221,277],"created":[222],"tested":[224],"using":[225],"AIMD":[226,286],"simulations.":[227],"There":[228],"was":[229,263,329],"minimal":[231],"difference":[232],"results":[235],"each":[237],"structure,":[238],"ratio":[245],"solvent":[247],"molecules":[248,276,290,314],"reduced":[249,268],"by":[250],"lithium.":[252],"testing":[254],"various":[260],"solvents,":[261],"it":[262,328],"found":[264],"ethylene":[266],"carbonate":[267],"readily,":[269],"while":[270],"dioxolane,":[271],"dimethoxyethane,":[272],"fluorinated":[274],"ether":[275],"quite":[278],"stable":[279],"presence":[282,317],"anode.":[285],"vicinity":[293],"show":[298],"high":[299,332],"reactivity,":[300],"as":[301],"seen":[302],"experimentally,":[303],"subsequent":[305],"DFT":[306],"calculations":[307],"indicate":[308],"reduction":[310],"long-chain":[312],"Li":[319],"atoms":[320],"thermodynamically":[323],"favorable":[324],"reaction":[325],"pathway.":[326],"Finally,":[327],"observed":[330],"molarity":[333],"salt":[334],"improving":[340],"cell":[341],"performance.":[342]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2018-05-17T00:00:00"}